SCHEMBL27288409

SCHEMBL27288409

CC(C)c1ccc(C(N)c2ccccc2NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ELANE P08246 1/20 0.41
CTRB1 P17538 1/20 0.41
NLRP3 Q96P20 1/20 0.41
IDO1 P14902 1/20 0.40
LPAR1 Q92633 3/20 0.40
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
BRD9 Q9H8M2 1/20 0.38
GPR139 Q6DWJ6 1/20 0.38
RECQL P46063 1/20 0.37

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
SCHEMBL30816959 1.00 TP53 (0.44) TP53MAPTKDM4EALDH1A1ELANE
SCHEMBL2737224 0.83 NLRP3 (0.56) TP53MAPTNLRP3IDO1LPAR1
SCHEMBL32665001 0.81 NPC1 (0.42) TP53MAPTALDH1A1
SCHEMBL27289163 0.81 NPC1 (0.42) TP53MAPTALDH1A1
Hydrochloric Acid SCHEMBL32690462 0.80 ALDH1A1 (0.44) MAPTKDM4EALDH1A1LPAR1RXFP1
SCHEMBL1771858 0.79 IDO1 (0.47) TP53MAPTELANECTRB1NLRP3
Hydrochloric Acid SCHEMBL32664815 0.79 ALDH1A1 (0.44) MAPTALDH1A1RXFP1LMNA
SCHEMBL17230179 0.78 IDO1 (0.44) TP53MAPTELANECTRB1NLRP3
SCHEMBL30816994 0.78 KDM4E (0.38) TP53MAPTKDM4EALDH1A1ELANE
SCHEMBL30816992 0.78 KDM4E (0.38) TP53MAPTKDM4EALDH1A1ELANE

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
WO-2024059661-A1 N-(BENZHYDRYL)CYCLOALKYLCARBOXAMIDE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE 1 (GYS1) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2024-03-21 WO disclosed