SCHEMBL30697224

SCHEMBL30697224

COC(=O)c1ccc2c(c1)N(Cc1ccc3[nH]cnc3c1)CC2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 1/20 0.43
▸ HDAC1 Q13547 7/20 0.43
▸ HDAC6 Q9UBN7 7/20 0.43
▸ HSD11B1 P28845 3/20 0.42
▸ TYMS P04818 1/20 0.41
▸ XIAP P98170 1/20 0.41
▸ BIRC2 Q13490 1/20 0.41
▸ ACACB O00763 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ ACHE P22303 1/20 0.38

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
SCHEMBL27081690 1.00 CDK9 (0.43) CDK9HDAC1HDAC6HSD11B1TYMS
SCHEMBL29967753 0.79 PRMT5 (0.42) HDAC6ALDH1A1ALOX15
SCHEMBL27083011 0.79 PRMT5 (0.42) HDAC6ALDH1A1ALOX15
SCHEMBL29967680 0.78 MAPT (0.45) HDAC6KDM4EALDH1A1MEN1KMT2A
SCHEMBL27081782 0.78 MAPT (0.45) HDAC6KDM4EALDH1A1MEN1KMT2A
SCHEMBL23754421 0.78 ACHE (0.57) HDAC1HDAC6ALDH1A1HSD17B10MEN1
SCHEMBL30027318 0.78 ACHE (0.57) HDAC1HDAC6ALDH1A1HSD17B10MEN1
SCHEMBL27083027 0.77 MAPT (0.44) HDAC1HDAC6KMT2A
SCHEMBL29967557 0.77 MAPT (0.44) HDAC1HDAC6KMT2A
SCHEMBL12359624 0.76 XIAP (0.44) CDK9HDAC1HDAC6XIAPBIRC2

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-117062812-A Indoline derivatives as DDR inhibitors 奇斯药制品公司 2023-11-14 — — CN disclosed
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