SCHEMBL29339279

SCHEMBL29339279

COc1cc(F)cc(CNC(=O)CN)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.50
▸ TACR1 P25103 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ POLB P06746 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ AOC3 Q16853 1/20 0.41
▸ EPHX2 P34913 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL23384767 0.85 TACR1 (0.45) GAATACR1ALDH1A1HTTSMN1; SMN2
SCHEMBL27229801 0.83 TACR1 (0.49) GAATACR1ALDH1A1HTTSMN1; SMN2
SCHEMBL10296153 0.80 LMNA (0.45) ALDH1A1HTTMEN1KMT2ALMNA
SCHEMBL21254127 0.78 ALDH1A1 (0.74) ALDH1A1HTTSMN1; SMN2LMNAPOLB
SCHEMBL29784651 0.77 DYRK1A (0.43) GAATACR1SMN1; SMN2
SCHEMBL24324560 0.77 TACR1 (0.41) GAATACR1ALDH1A1HTTSMN1; SMN2
SCHEMBL7529534 0.76 NPC1 (0.65) GAAALDH1A1MEN1KMT2ALMNA
SCHEMBL23384717 0.75 NPC1 (0.52) GAATACR1ALDH1A1HTTSMN1; SMN2
SCHEMBL1274028 0.75 TACR1 (0.50) TACR1ALDH1A1HTTLMNAAOC3
SCHEMBL6289037 0.74 TACR1 (0.60) TACR1ALDH1A1HTTSMN1; SMN2MEN1

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-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 — — EP disclosed
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