SCHEMBL9172765

SCHEMBL9172765

O=C(NCc1cccnc1)c1cccc(C(=O)N2Cc3ccccc3Oc3ccc(Cl)cc32)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 7/20 0.50
▸ ALDH1A1 P00352 4/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ THPO P40225 1/20 0.47
▸ PMP22 Q01453 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ PTGER2 P43116 1/20 0.45
▸ MMP13 P45452 1/20 0.43
▸ ANO1 Q5XXA6 1/20 0.42
▸ DHODH Q02127 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ NPC1 O15118 1/20 0.41

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
SCHEMBL9173418 0.91 PTGER1 (0.58) PTGER1ALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL9175548 0.88 PTGER1 (0.51) PTGER1ALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL9169823 0.88 PTGER1 (0.52) PTGER1ALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL9170896 0.86 PTGER1 (0.53) PTGER1ALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL9167824 0.86 PTGER1 (0.53) PTGER1ALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL9159250 0.85 PTGER1 (0.61) PTGER1ALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL9174081 0.85 ALDH1A1 (0.49) PTGER1ALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL9174933 0.85 PTGER1 (0.49) PTGER1ALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL9173178 0.85 PTGER1 (0.49) PTGER1ALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL8798838 0.82 HTT (0.45) PTGER1ALDH1A1MEN1CYP1A2CYP3A4

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-5420270-A ANALGESICS; FOR TREATMENT OF PROSTAGLANDIN E2 MEDIATED DISEASES G. D. SEARLE & CO. (US) 1995-05-30 — — US claimed
US-5420270-A ANALGESICS; FOR TREATMENT OF PROSTAGLANDIN E2 MEDIATED DISEASES G. D. SEARLE & CO. (US) 1995-05-30 — — US disclosed
Send feedback