SCHEMBL9314587

SCHEMBL9314587

O=C(O)Nc1cccc(-c2nnn[nH]2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.45
MAPT P10636 3/20 0.44
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
COMT P21964 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 1/20 0.40

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
SCHEMBL22167182 0.90 MGLL (0.54) MGLLMAPTMEN1KMT2AALDH1A1
Acitazanolast SCHEMBL342549 0.89 GPR35 (0.54) MGLLMAPTMMP2MMP9COMT
Acitazanolast SCHEMBL3116621 0.87 GPR35 (0.53) MGLLMAPTMMP2MMP9COMT
SCHEMBL6694019 0.87 MAPT (0.59) MAPTNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL9573406 0.87 MAPT (0.43) MGLLMAPTMMP2MMP9COMT
SCHEMBL31680549 0.84 MMP2 (0.54) MAPTMMP2MMP9COMTMMP8
SCHEMBL950001 0.83 CYP3A4 (0.60) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9315202 0.81 HPSE (0.40) MMP2MMP9MMP8MMP13NPC1
SCHEMBL4532779 0.81 KDM4E (0.53) MGLLMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL23796628 0.81 LMNA (0.41) MAPTMMP2MMP9COMTMMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5374643-A Aryl urea (thiourea) and cyanoguanidine derivatives E. R. SQUIBB & SONS, INC. (US) 1994-12-20 US disclosed
EP-0587180-A2 Aryl urea (Thiourea) and cyanoguanidine derivatives E.R. SQUIBB & SONS, INC. (US) 1994-03-16 EP disclosed