SCHEMBL9169824

SCHEMBL9169824

O=C(NCc1ccccn1)c1ncccc1C(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ THPO P40225 1/20 0.49
▸ PMP22 Q01453 1/20 0.49
▸ PTGER1 P34995 8/20 0.48
▸ PTGER2 P43116 4/20 0.48
▸ HPGD P15428 3/20 0.47
▸ TP53 P04637 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
SCHEMBL9172155 0.93 HPGD (0.49) ALDH1A1KMT2AMAPTMEN1CYP1A2
SCHEMBL9172122 0.92 HPGD (0.52) ALDH1A1KMT2AMAPTMEN1CYP1A2
SCHEMBL9172453 0.89 PTGER1 (0.57) ALDH1A1KMT2AMAPTMEN1CYP1A2
SCHEMBL9173178 0.88 PTGER1 (0.49) ALDH1A1KMT2AMAPTMEN1CYP1A2
SCHEMBL9172644 0.87 PTGER1 (0.50) ALDH1A1KMT2AMAPTMEN1CYP1A2
SCHEMBL9166799 0.86 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTMEN1CYP1A2
SCHEMBL9174081 0.85 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTMEN1CYP1A2
SCHEMBL9157050 0.85 MAPT (0.61) ALDH1A1KMT2AMAPTMEN1CYP1A2
SCHEMBL9174894 0.84 MAPT (0.54) ALDH1A1KMT2AMAPTMEN1CYP1A2
SCHEMBL9172622 0.83 PTGER1 (0.57) ALDH1A1KMT2AMAPTMEN1CYP1A2

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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