SCHEMBL9754399

SCHEMBL9754399

O=c1[nH]c(-c2csc3ccccc23)ccc1-c1nnn[nH]1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.36
TNIK Q9UKE5 1/20 0.36
ALDH1A1 P00352 5/20 0.35
HPGD P15428 4/20 0.35
CDC7 O00311 1/20 0.32
MAPT P10636 1/20 0.32
MET P08581 1/20 0.32
IMPDH2 P12268 1/20 0.31

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
SCHEMBL9535284 0.79 KDM4E (0.41)
SCHEMBL9754365 0.78 ALDH1A1 (0.36) ALDH1A1HPGDMAPT
SCHEMBL9754396 0.76 ACVR1 (0.42) ALDH1A1HPGDMAPT
SCHEMBL9754436 0.72 ALDH1A1 (0.33) ALDH1A1HPGD
SCHEMBL9754463 0.72 PTGER3 (0.39)
SCHEMBL9700691 0.72 PTGS2 (0.35) ALDH1A1MAPT
SCHEMBL9700679 0.71 MAOA (0.37) MAOBMAPT
SCHEMBL9539748 0.70 FASN (0.46) MAOBTNIKALDH1A1HPGD
SCHEMBL9702588 0.70 ALPL (0.32) ALDH1A1MAPT
SCHEMBL9251638 0.70 PTGER3 (0.46)

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-1991017987-A1 PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-11-28 WO claimed
WO-1991017987-A1 PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-11-28 WO disclosed