SCHEMBL11866066

SCHEMBL11866066

COc1cc(C(=O)O)nn1-c1ccc(C)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ PPP1CA P62136 1/20 0.56
▸ KMT2A Q03164 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ RPA1 P27694 6/20 0.52
▸ MAPT P10636 3/20 0.49
▸ CFTR P13569 1/20 0.48
▸ POLB P06746 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ TP53 P04637 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
SCHEMBL2320824 0.88 ALDH1A1 (0.59) PPP1CAKMT2ARPA1MAPTPOLB
SCHEMBL11860723 0.87 POLB (0.61) SMN1; SMN2PPP1CAKMT2AMEN1RPA1
SCHEMBL11857760 0.84 MALT1 (0.50) SMN1; SMN2PPP1CAKMT2AMEN1RPA1
SCHEMBL28248773 0.78 SMN1; SMN2 (0.58) SMN1; SMN2PPP1CAKMT2AMEN1RPA1
SCHEMBL2322024 0.77 THRB (0.50) PPP1CAKMT2AMEN1RPA1CFTR
SCHEMBL15682943 0.77 MAPT (0.50) KMT2AMEN1RPA1MAPTPOLB
SCHEMBL14728132 0.77 SMN1; SMN2 (0.86) SMN1; SMN2PPP1CAKMT2AMEN1RPA1
SCHEMBL24885858 0.76 SMN1; SMN2 (0.59) SMN1; SMN2PPP1CAKMT2AMEN1RPA1
SCHEMBL31420389 0.76 POLB (0.63) KMT2AMEN1MAPTPOLBALDH1A1
SCHEMBL1514335 0.75 RPA1 (0.80) SMN1; SMN2PPP1CAKMT2AMEN1RPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3953467-A ANALYGESICS, ANTIINFLAMMATORY AGENTS MARUKO SEIYAKU CO., LTD. (JA) 1976-04-27 — — US disclosed
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