SCHEMBL29656649

SCHEMBL29656649

CCc1cc(Br)cc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.51
IDO1 P14902 2/20 0.39
ACP1 P24666 1/20 0.37
SIGMAR1 Q99720 5/20 0.36
HTR2A P28223 2/20 0.34
HTR2B P41595 2/20 0.34
HTR2C P28335 1/20 0.34
DDR1 Q08345 2/20 0.34
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ADRA2C P18825 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
DRD3 P35462 1/20 0.33
OPRK1 P41145 1/20 0.33
GABRB3 P28472 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
TACR1 P25103 1/20 0.33

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
SCHEMBL6467338 1.00 NOTUM (0.51) NOTUMIDO1ACP1SIGMAR1HTR2A
SCHEMBL26074528 0.84 IDO1 (0.46) NOTUMIDO1SIGMAR1HTR2AHTR2B
SCHEMBL148275 0.84 IDO1 (0.52) NOTUMIDO1SIGMAR1HTR2AHTR2B
SCHEMBL9886099 0.84 NOTUM (0.45) NOTUMIDO1ACP1SIGMAR1HTR2A
SCHEMBL3591051 0.81 IDO1 (0.41) NOTUMIDO1ACP1HTR2AHTR2B
SCHEMBL14228534 0.81 HSPA5 (0.36) NOTUMIDO1LMNA
SCHEMBL29738521 0.81 IDO1 (0.41) NOTUMIDO1ACP1HTR2AHTR2B
SCHEMBL9885347 0.80 NOTUM (0.41) NOTUMIDO1ACP1HTR2AHTR2B
SCHEMBL16727009 0.80 IDO1 (0.46) NOTUMIDO1ACP1SLC6A4TACR1
SCHEMBL25368340 0.79 NOTUM (0.40) NOTUMIDO1ACP1DDR1S1PR1

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
CN-114761383-A Sulfonamide derivatives and uses thereof 诺瑟拉有限公司 2022-07-15 CN disclosed
CN-114539245-A Pyrimidine-fused ring derivative-containing regulator, and preparation method and application thereof 上海翰森生物医药科技有限公司 2022-05-27 CN disclosed