SCHEMBL30185527

SCHEMBL30185527

CCS(=O)(=O)c1ccc(CC2Cc3cc(C(N)=O)ccc3N2Cc2ccccc2C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.42
CYP2C9 P11712 4/20 0.42
RORC P51449 7/20 0.41
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
MAOB P27338 1/20 0.36
HSD11B1 P28845 1/20 0.35
GLRA3 O75311 1/20 0.35
GLRB P48167 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL30185534 0.72 RORC (0.57) KIF11CYP2C9RORC
SCHEMBL30185517 0.71 KIF11 (0.62) KIF11CYP2C9RORC
SCHEMBL30185518 0.71 KIF11 (0.47) KIF11CYP2C9RORC
SCHEMBL27688435 0.66 MAOB (0.44) KIF11CYP2C9SIRT2SIRT1MAOB
SCHEMBL28296039 0.65 ALDH1A1 (0.45) OPRM1OPRD1OPRK1SIRT2KDM4E
SCHEMBL18954610 0.64 CHRM5 (0.69) MAOBALDH1A1
SCHEMBL28576798 0.63 RORC (0.72) RORC
SCHEMBL27933685 0.61 MAOB (0.53) KIF11CYP2C9MAOBCYP3A4
SCHEMBL26132798 0.61 ALDH1A1 (0.46) OPRM1OPRD1OPRK1SIRT2KDM4E
SCHEMBL27808823 0.61 KDM4E (0.60) SIRT2SIRT1KDM4EALDH1A1MEN1

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-112759541-B Indole-like derivatives and uses thereof 复旦大学 2023-03-17 CN disclosed