SCHEMBL5003596

SCHEMBL5003596

O=C1N=CN/C1=C\c1c[nH]c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.50
CYP2A6 P11509 1/20 0.50
IMPDH2 P12268 1/20 0.50
NTRK1 P04629 2/20 0.47
DAPK3 O43293 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
ABL1 P00519 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
CSF1R P07333 1/20 0.47
RET P07949 1/20 0.47
PDGFRB P09619 1/20 0.47

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
SCHEMBL128473 1.00 MAPT (0.50) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL128472 1.00 MAPT (0.50) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL3467529 0.73 NTRK1 (0.56) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL3467350 0.73 NTRK1 (0.56) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL3467353 0.73 NTRK1 (0.56) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL5145062 0.72 NAT1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2NFKB1
SCHEMBL16111817 0.72 NAT1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2NFKB1
SCHEMBL3781740 0.71 LMNA (0.46) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL26425931 0.71 MEN1 (0.61) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL860566 0.70 KDM4E (0.49) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
US-20150309021-A1 Advanced Drug Development and Manufacturing LOS ALAMOS NATIONAL SECURITY, LLC 2015-10-29 US disclosed
EP-2511844-B1 X-ray microscope XRPRO SCIENCES INC (US) 2015-08-12 EP disclosed
EP-2511844-A2 Advanced drug development and manufacturing Los Alamos National Security, LLC (US) 2012-10-17 EP disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US disclosed