SCHEMBL9175017

SCHEMBL9175017

O=C(NCc1ccncc1)c1ccc(C(=O)N2Cc3ccccc3Oc3ccc(Cl)cc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 8/20 0.61
▸ CYP3A4 P08684 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ THPO P40225 1/20 0.52
▸ PMP22 Q01453 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ PTGER2 P43116 2/20 0.49
▸ MAPK14 Q16539 1/20 0.46
▸ ROCK2 O75116 3/20 0.46
▸ MMP13 P45452 1/20 0.44
▸ IDO1 P14902 1/20 0.44

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
Hydrochloric Acid SCHEMBL9165687 0.99 PTGER1 (0.60) PTGER1CYP3A4MEN1ALDH1A1CYP1A2
SCHEMBL9172445 0.93 PTGER1 (0.59) PTGER1CYP3A4MEN1ALDH1A1CYP1A2
SCHEMBL9169823 0.91 PTGER1 (0.52) PTGER1CYP3A4MEN1ALDH1A1CYP1A2
SCHEMBL9171437 0.89 PTGER1 (0.61) PTGER1CYP3A4MEN1ALDH1A1CYP1A2
SCHEMBL9172432 0.88 PTGER1 (0.68) PTGER1CYP3A4MEN1ALDH1A1CYP1A2
SCHEMBL9175636 0.88 PTGER1 (0.54) PTGER1CYP3A4MEN1ALDH1A1CYP1A2
SCHEMBL9169807 0.87 PTGER1 (0.58) PTGER1CYP3A4MEN1ALDH1A1CYP1A2
SCHEMBL9173418 0.87 PTGER1 (0.58) PTGER1CYP3A4MEN1ALDH1A1CYP1A2
SCHEMBL9171092 0.87 PTGER1 (0.58) PTGER1CYP3A4MEN1ALDH1A1CYP1A2
SCHEMBL8887008 0.87 PTGER1 (0.72) PTGER1CYP3A4MEN1ALDH1A1CYP1A2

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 1 patent. 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
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