SCHEMBL30039733

SCHEMBL30039733

COc1cc2c(cc1OC(F)(F)F)N(C(C)=O)CC2

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.52
HTR2C P28335 4/20 0.50
TRIM24 O15164 3/20 0.49
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
S1PR1 P21453 1/20 0.45
HTR2A P28223 2/20 0.43
HTR2B P41595 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 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
SCHEMBL30038539 0.84 HTR2C (0.58) NOTUMHTR2CTRIM24HTR2AHTR2B
SCHEMBL19411076 0.79 LMNA (0.47) LMNASMN1; SMN2S1PR1
SCHEMBL2207784 0.78 NOTUM (0.57) NOTUMTRIM24LMNASMN1; SMN2CYP11B1
SCHEMBL29963196 0.78 NOTUM (0.57) NOTUMTRIM24LMNASMN1; SMN2CYP11B1
SCHEMBL6101817 0.78 NOTUM (0.57) NOTUMHTR2CTRIM24LMNASMN1; SMN2
SCHEMBL22130748 0.78 MAOB (0.41) HTR2CSMN1; SMN2S1PR1
SCHEMBL20939536 0.78 NOTUM (0.57) NOTUMTRIM24LMNASMN1; SMN2CYP11B1
SCHEMBL19428003 0.77 HTR2C (0.43) HTR2CS1PR1HTR2AHTR2BCYP1A2
SCHEMBL30039456 0.76 XIAP (0.58) NOTUMHTR2CLMNASMN1; SMN2
SCHEMBL30038735 0.75 HTR2C (0.55) HTR2CLMNAHTR2AHTR2BCYP1A2

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-110461831-B Substituted indoline derivatives as inhibitors of dengue virus replication 杨森制药公司 2022-11-01 CN disclosed