SCHEMBL9393942

SCHEMBL9393942

CCOc1c(N2Cc3ccccc3Oc3ccc(Cl)cc32)c(=O)c1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ THPO P40225 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ PTGER1 P34995 8/20 0.44
▸ PTGER2 P43116 4/20 0.43
▸ TSHR P16473 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PIM1 P11309 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ USP2 O75604 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL9423793 0.85 MEN1 (0.53) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL9394554 0.80 MAPT (0.45) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL9423418 0.75 MEN1 (0.45) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL9423796 0.73 KMT2A (0.41) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL9423257 0.73 PTGER1 (0.51) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL9392440 0.68 MAPT (0.42) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL9074132 0.68 MEN1 (0.63) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL6643390 0.67 SRD5A1 (0.46) MEN1KMT2AALDH1A1MAPTALOX15
SCHEMBL9135541 0.67 MEN1 (0.54) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL8885341 0.67 PTGER1 (0.68) MEN1KMT2AALDH1A1CYP1A2CYP3A4

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
WO-1994027981-A1 SQUARIC ACID DERIVATIVES OF DIBENZOXAZEPINS OR DIBENZOTHIAZEPINES USEFUL AS ANALGESICS G.D. SEARLE & CO. (US) 1994-12-08 — — WO claimed
US-5354746-A Prostaglandin inhibitor, analgesics G. D. SEARLE & CO. (US) 1994-10-11 — — US claimed
US-5354746-A Prostaglandin inhibitor, analgesics G. D. SEARLE & CO. (US) 1994-10-11 — — US disclosed
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