SCHEMBL5208701

SCHEMBL5208701

COc1cc(OB(O)O)cc(OC)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.38
▸ MAPT P10636 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.37
▸ AR P10275 3/20 0.36
▸ KMT2A Q03164 3/20 0.34
▸ GBA1 P04062 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 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
SCHEMBL2547123 0.80 ALDH1A1 (0.50) ALDH1A1MAPTLMNACYP2C9CYP1A2
SCHEMBL5623700 0.77 KDM4E (0.39) ALDH1A1MAPTLMNACYP2C9CYP1A2
SCHEMBL5207796 0.76 CYP3A4 (0.52) MAPTCYP1A2CYP3A4KMT2AMEN1
SCHEMBL6628469 0.76 RXFP1 (0.39) ALDH1A1MAPTCYP1A2CYP3A4KMT2A
SCHEMBL5206460 0.75 CA12 (0.35) ALDH1A1MAPTLMNACYP1A2CYP3A4
SCHEMBL5206042 0.75 CA12 (0.35) ALDH1A1MAPTLMNACYP1A2CYP3A4
SCHEMBL25077426 0.74 MAPT (0.54) ALDH1A1MAPTLMNACYP2C9CYP1A2
SCHEMBL24340392 0.74 KDM4E (0.42) ALDH1A1MAPTLMNACYP2C9CYP1A2
SCHEMBL5208181 0.73 CNKSR1 (0.35) ALDH1A1MAPTLMNACYP1A2CYP3A4
SCHEMBL28661191 0.73 ALDH1A1 (0.46) ALDH1A1MAPTLMNACYP2C9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1403250-B1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE KOWA CO (JP) 2007-07-18 — — EP disclosed
EP-1403251-B1 BIS(2-ARYL-5-PYRIDYL) DERIVATIVE KOWA CO (JP) 2007-07-18 — — EP disclosed
EP-1403250-A1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE Kowa Co., Ltd. (JP) 2004-03-31 — — EP disclosed
EP-1403251-A1 BIS(2-ARYL-5-PYRIDYL) DERIVATIVE Kowa Co., Ltd. (JP) 2004-03-31 — — EP disclosed
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