SCHEMBL9159250

SCHEMBL9159250

O=C(NCc1cccnc1)N1Cc2ccccc2Oc2ccc(Cl)cc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 8/20 0.61
▸ MAPT P10636 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ THPO P40225 1/20 0.59
▸ PMP22 Q01453 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ PTGER2 P43116 4/20 0.55
▸ P2RX4 Q99571 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ ALPG P10696 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HTT P42858 1/20 0.46

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
SCHEMBL8887008 0.89 PTGER1 (0.72) PTGER1MAPTMEN1ALDH1A1CYP1A2
SCHEMBL9169823 0.88 PTGER1 (0.52) PTGER1MAPTMEN1ALDH1A1CYP1A2
SCHEMBL9175548 0.86 PTGER1 (0.51) PTGER1MAPTMEN1ALDH1A1CYP1A2
SCHEMBL9167824 0.86 PTGER1 (0.53) PTGER1MAPTMEN1ALDH1A1CYP1A2
SCHEMBL9170896 0.86 PTGER1 (0.53) PTGER1MAPTMEN1ALDH1A1CYP1A2
SCHEMBL9172765 0.85 PTGER1 (0.50) PTGER1MAPTMEN1ALDH1A1CYP1A2
SCHEMBL9173178 0.85 PTGER1 (0.49) PTGER1MAPTMEN1ALDH1A1CYP1A2
SCHEMBL9174933 0.85 PTGER1 (0.49) PTGER1MAPTMEN1ALDH1A1CYP1A2
SCHEMBL8887104 0.83 PTGER1 (0.69) PTGER1MAPTMEN1ALDH1A1CYP1A2
SCHEMBL9157050 0.83 MAPT (0.61) PTGER1MAPTMEN1ALDH1A1CYP1A2

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-1995033733-A1 SUBSTITUTED DIBENZOXAZEPINE AND DIBENZOTHIAZEPINE UREAS USEFUL AS PROSTAGLANDIN ANTAGONISTS G.D. SEARLE & CO. (US) 1995-12-14 — — WO claimed
US-5449675-A Analgesics G. D. SEARLE & CO. (US) 1995-09-12 — — US disclosed
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