SCHEMBL21173009

SCHEMBL21173009

CC(=O)N1c2ccc(F)cc2CC(C)[C@@H]1C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.49
ALDH1A1 P00352 4/20 0.47
HTT P42858 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAPK1 P28482 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
PDK1 Q15118 5/20 0.43
PDK2 Q15119 5/20 0.43
PDK3 Q15120 5/20 0.43
PDK4 Q16654 5/20 0.43
HSP90AA1 P07900 2/20 0.43

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
SCHEMBL21172566 1.00 NOTUM (0.49) NOTUMALDH1A1HTTNPC1RAB9A
SCHEMBL32673424 0.85 NOTUM (0.62) NOTUMALDH1A1HTTNPC1RAB9A
SCHEMBL24348283 0.84 NOTUM (0.48) NOTUMKMT2AMEN1
SCHEMBL21173181 0.83 ALDH1A1 (0.46) NOTUMALDH1A1HTTNPC1RAB9A
SCHEMBL21172617 0.83 ALDH1A1 (0.46) NOTUMALDH1A1HTTNPC1RAB9A
SCHEMBL21172721 0.83 ALDH1A1 (0.46) NOTUMALDH1A1HTTNPC1RAB9A
SCHEMBL21172849 0.82 NOTUM (0.44) NOTUMRAB9AKMT2ALMNA
SCHEMBL21172524 0.82 NOTUM (0.44) NOTUMRAB9AKMT2AMEN1LMNA
SCHEMBL21172581 0.81 TDP1 (0.44) NOTUMALDH1A1NPC1RAB9APDK1
SCHEMBL21172885 0.81 TDP1 (0.44) NOTUMALDH1A1NPC1RAB9APDK1

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
EP-3511323-B1 2,3-DISUBSTITUTED 1-ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2022-03-02 EP disclosed
EP-3511323-A1 2,3-DISUBSTITUTED 1-ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS GlaxoSmithKline Intellectual Property (No.2) Limited (GB) 2019-07-17 EP disclosed