SCHEMBL24746313

SCHEMBL24746313

Cc1ccc(NC(=O)C2CCCC2)cc1F

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
KDM4E B2RXH2 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
TSHR P16473 1/20 0.62
NPSR1 Q6W5P4 2/20 0.60
LMNA P02545 2/20 0.58
ALDH1A1 P00352 2/20 0.55
GAA P10253 1/20 0.55
PTPN1 P18031 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL12558144 0.94 NPC1 (0.58) NPC1RAB9AKDM4ESMN1; SMN2TSHR
SCHEMBL10197815 0.86 MAPT (0.58) NPC1RAB9AKDM4ESMN1; SMN2TSHR
SCHEMBL15886277 0.85 NPC1 (0.57) NPC1RAB9AKDM4ESMN1; SMN2TSHR
SCHEMBL24060059 0.84 RAB9A (0.72) NPC1RAB9AKDM4ENPSR1LMNA
SCHEMBL12764175 0.83 RAB9A (0.74) NPC1RAB9AKDM4ESMN1; SMN2NPSR1
SCHEMBL15886244 0.81 NAMPT (0.56) NPC1RAB9ASMN1; SMN2NPSR1LMNA
SCHEMBL24746420 0.81 SMN1; SMN2 (0.59) NPC1RAB9AKDM4ESMN1; SMN2NPSR1
SCHEMBL1749832 0.81 HPGD (0.54) NPC1KDM4ESMN1; SMN2NPSR1LMNA
SCHEMBL2241850 0.81 ALDH1A1 (0.60) NPC1KDM4ESMN1; SMN2TSHRLMNA
SCHEMBL30976769 0.81 HPGD (0.58) NPC1KDM4ESMN1; SMN2NPSR1LMNA

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-2022174253-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-08-18 WO disclosed