SCHEMBL20084815

SCHEMBL20084815

COc1cc2cc(C(=O)/C(C#N)=C/N(C)C)[nH]c2cc1NC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ LEF1 Q9UJU2 1/20 0.34
▸ F11 P03951 1/20 0.33
▸ KLKB1 P03952 1/20 0.33
▸ KMT2A Q03164 6/20 0.33
▸ POLB P06746 5/20 0.33
▸ MEN1 O00255 5/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TNNI3 P19429 1/20 0.32
▸ CRHBP P24387 1/20 0.32
▸ TNNT2 P45379 1/20 0.32
▸ KLK7 P49862 1/20 0.32

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
SCHEMBL18331409 0.90 MAPT (0.37) HPGDMAPTNPSR1RECQLLEF1
SCHEMBL20084819 0.89 RXFP1 (0.35) RXFP1MAPTLEF1F11KLKB1
SCHEMBL18332490 0.87 RXFP1 (0.38) RXFP1HPGDMAPTNPSR1F11
SCHEMBL10003424 0.84 RXFP1 (0.47) RXFP1HPGDMAPTNPSR1RECQL
SCHEMBL10003427 0.84 RXFP1 (0.47) RXFP1HPGDMAPTNPSR1RECQL
SCHEMBL21572135 0.83 KMT2A (0.39) RXFP1HPGDMAPTNPSR1F11
SCHEMBL18332517 0.83 KMT2A (0.39) RXFP1HPGDMAPTNPSR1F11
SCHEMBL11931249 0.80 POLB (0.42) RXFP1HPGDMAPTNPSR1RECQL
SCHEMBL10002864 0.80 POLB (0.42) RXFP1HPGDMAPTNPSR1RECQL
SCHEMBL18332352 0.80 NPSR1 (0.40) RXFP1HPGDMAPTNPSR1RECQL

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
EP-3312172-A1 AMINOPYRAZOLE DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 2018-04-25 — — EP disclosed
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