SCHEMBL8887104

SCHEMBL8887104

O=C(CNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21)NCc1ccncc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 8/20 0.69
▸ MAPT P10636 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ THPO P40225 1/20 0.57
▸ PMP22 Q01453 1/20 0.57
▸ PTGER2 P43116 4/20 0.56
▸ P2RX4 Q99571 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ GAA P10253 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
SCHEMBL8887008 0.93 PTGER1 (0.72) PTGER1MAPTKMT2AMEN1ALDH1A1
SCHEMBL8885367 0.91 PTGER1 (0.70) PTGER1MAPTKMT2AMEN1ALDH1A1
SCHEMBL8886654 0.88 PTGER1 (0.65) PTGER1MAPTKMT2AMEN1ALDH1A1
SCHEMBL8885159 0.84 PTGER1 (0.63) PTGER1MAPTKMT2AMEN1ALDH1A1
SCHEMBL8884393 0.84 PTGER1 (0.63) PTGER1MAPTKMT2AMEN1ALDH1A1
SCHEMBL8885549 0.84 PTGER1 (0.72) PTGER1MAPTKMT2AMEN1ALDH1A1
SCHEMBL9159250 0.83 PTGER1 (0.61) PTGER1MAPTKMT2AMEN1ALDH1A1
SCHEMBL9175017 0.83 PTGER1 (0.61) PTGER1MAPTKMT2AMEN1ALDH1A1
SCHEMBL9171437 0.83 PTGER1 (0.61) PTGER1MAPTKMT2AMEN1ALDH1A1
SCHEMBL8886433 0.82 PTGER1 (0.69) PTGER1MAPTKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5661146-A ANALGESICS G.D. SEARLE & CO. (US) 1997-08-26 — — US disclosed
US-5449675-A Analgesics G. D. SEARLE & CO. (US) 1995-09-12 — — US disclosed
US-5441950-A Analgesics, prostaglandin E2 antagonists G. D. SEARLE & CO. (US) 1995-08-15 — — US disclosed
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