SCHEMBL1239720

SCHEMBL1239720

c1ccc(CNCc2cnccn2)nc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.56
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
KDM4E B2RXH2 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 5/20 0.47
ALDH1A1 P00352 3/20 0.47
VNN1 O95497 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
OPRM1 P35372 1/20 0.44
SCN8A Q9UQD0 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
NPC1 O15118 1/20 0.43

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
SCHEMBL16606313 0.86 HDAC3 (0.47) CHRM2KDM4EALDH1A1VNN1CYP1A2
SCHEMBL230222 0.86 CHRM2 (0.70) CHRM2MAOAMAOBKDM4ESMN1; SMN2
SCHEMBL29438821 0.86 CHRM2 (0.70) CHRM2MAOAMAOBKDM4ESMN1; SMN2
SCHEMBL317984 0.84 CHRM2 (0.68) CHRM2MAOAMAOBKDM4ESMN1; SMN2
Zinc Ion SCHEMBL30442739 0.84 CHRM2 (0.68) CHRM2MAOAMAOBKDM4ESMN1; SMN2
SCHEMBL25211342 0.84 CHRM2 (0.68) CHRM2MAOAMAOBKDM4ESMN1; SMN2
SCHEMBL18493706 0.84 CHRM2 (0.68) CHRM2MAOAMAOBKDM4ESMN1; SMN2
Zinc Ion SCHEMBL30205248 0.84 CHRM2 (0.68) CHRM2MAOAMAOBKDM4ESMN1; SMN2
SCHEMBL28117672 0.84 ALDH1A1 (0.57) ALDH1A1VNN1CYP1A2CYP2D6MEN1
Pyridine SCHEMBL4753513 0.82 CHRM2 (0.61) CHRM2MAOAMAOBKDM4ESMN1; SMN2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8574914-B2 Methods for mobile zinc measurement THE GENERAL HOSPITAL CORPORATION (US) 2013-11-05 US claimed
US-20120270262-A1 METHODS FOR MOBILE ZINC MEASUREMENT MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-10-25 US claimed
WO-2011019864-A2 METHODS FOR MOBILE ZINC MEASUREMENT THE GENERAL HOSPITAL CORPORATION (US) 2011-02-17 WO claimed
EP-2393805-B1 XANTHENE DYES COMPRISING A SULFONAMIDE GROUP BIOTIUM INC (US) 2015-08-26 EP disclosed
US-9006437-B2 Xanthene dyes comprising a sulfonamide group BIOTIUM, INC. (US) 2015-04-14 US disclosed
US-20150004711-A1 METHODS AND ASSAYS RELATING TO PROSTATE CANCER THE GENERAL HOSPITAL CORPORATION (US) 2015-01-01 US disclosed
US-20140011208-A1 XANTHENE DYES COMPRISING A SULFONAMIDE GROUP BIOTIUM, INC. 2014-01-09 US disclosed
US-8574914-B2 Methods for mobile zinc measurement THE GENERAL HOSPITAL CORPORATION (US) 2013-11-05 US disclosed
WO-2013126501-A1 METHODS AND ASSAYS RELATING TO PROSTATE CANCER THE GENERAL HOSPITAL CORPORATION (US) 2013-08-29 WO disclosed
US-20120270262-A1 METHODS FOR MOBILE ZINC MEASUREMENT MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-10-25 US disclosed
EP-2393805-A1 XANTHENE DYES COMPRISING A SULFONAMIDE GROUP Biotium Inc. (US) 2011-12-14 EP disclosed
WO-2011019864-A2 METHODS FOR MOBILE ZINC MEASUREMENT THE GENERAL HOSPITAL CORPORATION (US) 2011-02-17 WO disclosed
WO-2010091126-A1 XANTHENE DYES COMPRISING A SULFONAMIDE GROUP BIOTIUM, INC. (US) 2010-08-12 WO disclosed