SCHEMBL1781624

SCHEMBL1781624

Clc1ccc(-c2cccs2)nn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
HPGD P15428 2/20 0.50
RXFP1 Q9HBX9 2/20 0.48
NPC1 O15118 11/20 0.47
RAB9A P51151 11/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
TP53 P04637 3/20 0.47
HSD17B10 Q99714 2/20 0.46
KLF5 Q13887 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12608094 0.79 MEN1 (0.54) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL3844259 0.76 MAPT (0.50) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL30661703 0.76 NPC1 (0.55) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL14451000 0.76 NPC1 (0.55) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL14051391 0.75 CNR2 (0.49) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL1456362 0.72 ALDH1A1 (0.46) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL1573541 0.72 KDM4E (0.73) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL12164249 0.72 NPC1 (0.59) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL2162823 0.72 MAPT (0.46) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL13977912 0.71 KDM4E (0.52) MAPTMEN1KMT2AKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966214-B9 TRIAZOLOPYRIDAZINES AS TYROSINE KINASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-09-13 EP disclosed
EP-1966214-B9 TRIAZOLOPYRIDAZINES AS TYROSINE KINASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-09-13 EP disclosed
EP-1966214-B1 TRIAZOLOPYRIDAZINES AS TYROSINE KINASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-11-02 EP disclosed
EP-1966214-B1 TRIAZOLOPYRIDAZINES AS TYROSINE KINASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-11-02 EP disclosed
WO-2013054302-A1 METHOD FOR PREPARING TRIARYL(HETEROARYL)BISMUTHS, AND USES THEREOF FOR THE SYNTHESIS OF AROMATIC OR HETEROAROMATIC DERIVATIVES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2013-04-18 WO disclosed
US-8173654-B2 Triazolopyridazine compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-08 US disclosed
US-8173654-B2 Triazolopyridazine compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-08 US disclosed
US-8173654-B2 Triazolopyridazine compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-08 US disclosed
US-8030305-B2 Triazolopyridazines as kinase modulators JANSSEN PHARMACEUTICA N.V. (BE) 2011-10-04 US disclosed
US-8030305-B2 Triazolopyridazines as kinase modulators JANSSEN PHARMACEUTICA N.V. (BE) 2011-10-04 US disclosed
WO-2007075567-A1 TRIAZOLOPYRIDAZINES AS TYROSINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-05 WO disclosed
US-20060124909-A1 n-Type thiophene semiconductors POLYERA CORPORATION 2006-06-15 US disclosed
US-6991749-B2 n-Type thiophene semiconductors NORTHWESTERN UNIVERSITY (US) 2006-01-31 US disclosed
US-20050119440-A1 n-Type thiophene semiconductors NATIONAL SCIENCE FOUNDATION 2005-06-02 US disclosed
US-6585914-B2 N-type thiophene semiconductors NORTHWESTERN UNIVERSITY 2003-07-01 US disclosed
US-20030080324-A1 n-type thiophene semiconductors NORTHWESTERN UNIVERSITY 2003-05-01 US disclosed
WO-2003010778-A1 n-TYPE THIOPHENE SEMICONDUCTORS NORTHWESTERN UNIVERSITY (US) 2003-02-06 WO disclosed
EP-0029103-B1 6- AND 8-HETEROARYL-1,2,4-TRIAZOLO(4,3-B)PYRIDAZINES AMERICAN CYANAMID COMPANY (US) 1983-05-18 EP disclosed
EP-0029103-A1 6- and 8-Heteroaryl-1,2,4-triazolo(4,3-b)pyridazines AMERICAN CYANAMID COMPANY (US) 1981-05-27 EP disclosed
US-4260756-A TRANQUILIZERS AMERICAN CYANAMID COMPANY (US) 1981-04-07 US disclosed