SCHEMBL8887008

SCHEMBL8887008

O=C(NCc1ccncc1)N1Cc2ccccc2Oc2ccc(Cl)cc21

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 8/20 0.72
▸ MAPT P10636 2/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ ALOX15 P16050 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ THPO P40225 1/20 0.62
▸ PMP22 Q01453 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ PTGER2 P43116 4/20 0.58
▸ P2RX4 Q99571 1/20 0.51
▸ THRB P10828 1/20 0.48
▸ TP53 P04637 1/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL8887104 0.93 PTGER1 (0.69) PTGER1MAPTMEN1ALDH1A1CYP1A2
SCHEMBL8885367 0.92 PTGER1 (0.70) PTGER1MAPTMEN1ALDH1A1CYP1A2
SCHEMBL9159250 0.89 PTGER1 (0.61) PTGER1MAPTMEN1ALDH1A1CYP1A2
SCHEMBL8885159 0.88 PTGER1 (0.63) PTGER1MAPTMEN1ALDH1A1CYP1A2
SCHEMBL8884393 0.88 PTGER1 (0.63) PTGER1MAPTMEN1ALDH1A1CYP1A2
SCHEMBL8885549 0.88 PTGER1 (0.72) PTGER1MAPTMEN1ALDH1A1CYP1A2
SCHEMBL9175017 0.87 PTGER1 (0.61) PTGER1MAPTMEN1ALDH1A1CYP1A2
SCHEMBL9171437 0.87 PTGER1 (0.61) PTGER1MAPTMEN1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL9165687 0.86 PTGER1 (0.60) PTGER1MAPTMEN1ALDH1A1CYP1A2
SCHEMBL9172445 0.85 PTGER1 (0.59) 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 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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