SCHEMBL9786435

SCHEMBL9786435

COc1cc2[nH]c(=O)oc2cc1NCc1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ PGK1 P00558 3/20 0.48
▸ ALDH1A1 P00352 5/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ RECQL P46063 1/20 0.44
▸ POLB P06746 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ USP2 O75604 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ PDE10A Q9Y233 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HPGD P15428 2/20 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
SCHEMBL9786413 0.80 KMT2A (0.62) SMN1; SMN2MEN1KMT2APGK1ALDH1A1
SCHEMBL9786404 0.77 KMT2A (0.42) MEN1KMT2APOLBPDE10A
SCHEMBL1879752 0.76 IMPDH2 (0.53) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL10555220 0.73 SMN1; SMN2 (0.59) SMN1; SMN2MEN1KMT2APGK1ALDH1A1
SCHEMBL10562491 0.72 ALDH1A1 (0.60) SMN1; SMN2PGK1ALDH1A1KDM4EHSD17B10
SCHEMBL9374588 0.71 CREBBP (0.34) SMN1; SMN2KMT2APOLBTP53PDE10A
SCHEMBL22792298 0.70 CYP1A2 (0.53) SMN1; SMN2MEN1KMT2APGK1ALDH1A1
SCHEMBL6287057 0.69 SMN1; SMN2 (0.53) SMN1; SMN2MEN1KMT2APGK1ALDH1A1
SCHEMBL6285841 0.69 SMN1; SMN2 (0.53) SMN1; SMN2MEN1KMT2APGK1ALDH1A1
SCHEMBL6286928 0.69 SMN1; SMN2 (0.53) SMN1; SMN2MEN1KMT2APGK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5036088-A Enzyme inhibitors; cyclooxygenase, lipoxygenase PFIZER INC. (US) 1991-07-30 — — US disclosed
US-5006541-A Antiallergy and antiinflammatory agents PFIZER INC. (US) 1991-04-09 — — US disclosed
US-4904685-A Antiallergy and antiinflammatory agents PFIZER INC. (US) 1990-02-27 — — US disclosed
US-4835166-A LIPOXYGENASE, CYCLOOXYGENASE INHIBITORS PFIZER INC. (US) 1989-05-30 — — US disclosed
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