SCHEMBL11857760

SCHEMBL11857760

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 1/20 0.50
▸ POLB P06746 2/20 0.44
▸ MAPT P10636 4/20 0.44
▸ KMT2A Q03164 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ PPP1CA P62136 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ SMPD1 P17405 1/20 0.39
▸ CFTR P13569 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ RPA1 P27694 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38

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
SCHEMBL11860205 0.88 MALT1 (0.66) MALT1POLBKMT2APPP1CASMN1; SMN2
SCHEMBL11866066 0.84 SMN1; SMN2 (0.56) POLBMAPTKMT2ATDP1PPP1CA
SCHEMBL11864162 0.82 MALT1 (0.44) MALT1MAPTKMT2ATDP1PPP1CA
SCHEMBL30482104 0.80 MALT1 (0.50) MALT1POLBKMT2APPP1CATP53
SCHEMBL5109068 0.80 MALT1 (0.50) MALT1POLBKMT2APPP1CATP53
SCHEMBL11862128 0.79 RPA1 (0.51) MALT1POLBMAPTKMT2ATDP1
SCHEMBL2320824 0.72 ALDH1A1 (0.59) POLBMAPTKMT2ATDP1PPP1CA
SCHEMBL11860723 0.71 POLB (0.61) MALT1POLBKMT2APPP1CASMN1; SMN2
SCHEMBL11863727 0.71 MALT1 (0.58) MALT1POLBKMT2APPP1CASMN1; SMN2
SCHEMBL15682943 0.71 MAPT (0.50) POLBMAPTKMT2ATDP1TP53

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