SCHEMBL9167824

SCHEMBL9167824

O=C(NCc1cccnc1)c1ccncc1C(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 5/20 0.53
▸ ALDH1A1 P00352 6/20 0.48
▸ GAA P10253 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ THPO P40225 1/20 0.48
▸ PMP22 Q01453 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ HTT P42858 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ PTGER2 P43116 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45

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
SCHEMBL9170896 0.97 PTGER1 (0.53) PTGER1ALDH1A1GAAMEN1CYP1A2
SCHEMBL9171092 0.93 PTGER1 (0.58) PTGER1ALDH1A1GAAMEN1CYP1A2
SCHEMBL9169807 0.90 PTGER1 (0.58) PTGER1ALDH1A1GAAMEN1CYP1A2
SCHEMBL9174933 0.89 PTGER1 (0.49) PTGER1ALDH1A1GAAMEN1CYP1A2
SCHEMBL9173178 0.89 PTGER1 (0.49) PTGER1ALDH1A1GAAMEN1CYP1A2
SCHEMBL9169823 0.88 PTGER1 (0.52) PTGER1ALDH1A1GAAMEN1CYP1A2
SCHEMBL9172644 0.88 PTGER1 (0.50) PTGER1ALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL9171437 0.87 PTGER1 (0.61) PTGER1ALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL9175548 0.87 PTGER1 (0.51) PTGER1ALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL9172765 0.86 PTGER1 (0.50) PTGER1ALDH1A1GAAMEN1CYP1A2

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
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