SCHEMBL28812232

SCHEMBL28812232

NC(=O)OC1CN(c2ccc(Br)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
AKR1C3 P42330 1/20 0.40
PTPRF P10586 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
USP2 O75604 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 5/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.35
CHRNA7 P36544 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL28631027 0.84 HRH3 (0.47) AKR1C3USP2KMT2AMAPTL3MBTL1
SCHEMBL28598617 0.83 NOTUM (0.45) ATMUSP2KMT2ACYP1A2CYP2D6
SCHEMBL31084046 0.73 HRH3 (0.37) AKR1C3MAPT
SCHEMBL22804834 0.72 NOTUM (0.51) AKR1C3USP2KMT2AMAPTRXFP1
SCHEMBL29117227 0.71 NOTUM (0.55) MAPTGPR119
SCHEMBL28817090 0.71 KDM1A (0.37) ATMAKR1C3PTPRFPTPN2PTPN1
SCHEMBL29117230 0.71 NOTUM (0.55) MAPTGPR119
SCHEMBL15224314 0.70 HRH3 (0.52) AKR1C3
SCHEMBL31465552 0.70 KDM1A (0.40) AKR1C3USP2KMT2AALOX15MAPK1
SCHEMBL20640028 0.70 MAPT (0.50) AKR1C3USP2KMT2AMAPTCHRNA7

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
CN-114929345-A Substituted pyrazole compounds as TOLL receptor inhibitors 百时美施贵宝公司 2022-08-19 CN disclosed