SCHEMBL9701582

SCHEMBL9701582

CCCOc1ccc(-c2ccc(-c3nnn[nH]3)c(=O)[nH]2)c(OCCC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
CYP2C9 P11712 1/20 0.38
MOGAT2 Q3SYC2 1/20 0.38
MDM2 Q00987 2/20 0.37
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PDE5A O76074 11/20 0.35
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
PDE2A O00408 1/20 0.33
PDE6D O43924 1/20 0.33
USP2 O75604 1/20 0.33
PDE9A O76083 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL9525805 0.94 CDC7 (0.36) GCGRMAPK13MAPK12MAPK11MAPK14
SCHEMBL9700644 0.93 PDE5A (0.38) GCGRMAPK13MAPK12MAPK11MAPK14
SCHEMBL9526401 0.88 PTPN1 (0.36) GCGRCYP2C9MOGAT2KMT2AMEN1
SCHEMBL7644729 0.87 PDE5A (0.47) PDE5AKDM4EALDH1A1KMT2AMEN1
SCHEMBL9701474 0.85 CYP1A2 (0.41) CYP2C9MOGAT2KDM4EALDH1A1CYP1A2
SCHEMBL9700689 0.84 RAB9A (0.33) GCGRMAPK13MAPK12MAPK11MAPK14
SCHEMBL9526113 0.84 MAPT (0.41) CYP2C9KDM4EALDH1A1KMT2AMEN1
SCHEMBL9701387 0.81 CYP2C9 (0.47) CYP2C9MOGAT2LMNACYP1A2HPGD
SCHEMBL9701382 0.81 SMN1; SMN2 (0.42) CYP2C9KDM4EALDH1A1KMT2AMEN1
SCHEMBL9524898 0.80 PDE4A (0.37) PDE5AKDM4EALDH1A1KMT2AMEN1

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
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO claimed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed