SCHEMBL31331799

SCHEMBL31331799

COc1ccc(CN(C)S(=O)(=O)c2ccc(Nc3ccc(C(F)(F)F)cn3)cc2-c2cn(C3CC3)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 1/20 0.41
▸ CDK5 Q00535 6/20 0.40
▸ CDK5R1 Q15078 6/20 0.40
▸ LIPE Q05469 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ BMP1 P13497 1/20 0.34
▸ ELOVL6 Q9H5J4 1/20 0.34
▸ HRH3 Q9Y5N1 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
SCHEMBL31331755 0.97 CDK5 (0.41) CCR6CDK5CDK5R1LIPEKDM4E
SCHEMBL31332132 0.90 CDK5 (0.40) CDK5CDK5R1CNR1CNR2
SCHEMBL31331877 0.87 CDK5 (0.39) CCR6CDK5CDK5R1LIPEKDM4E
SCHEMBL22718447 0.85 CCR6 (0.44) CCR6CDK5CDK5R1KDM4EMEN1
SCHEMBL31331781 0.85 LIPE (0.41) CCR6CDK5CDK5R1LIPEKDM4E
SCHEMBL29438872 0.83 CCR6 (0.43) CCR6CDK5CDK5R1MEN1MAPT
SCHEMBL22718316 0.83 CCR6 (0.43) CCR6CDK5CDK5R1MEN1MAPT
SCHEMBL31331952 0.80 TNNI3K (0.47) KDM4EMEN1MAPTKMT2APRKDC
SCHEMBL24496211 0.80 CCR6 (0.41) CCR6CDK5CDK5R1KDM4EMEN1
SCHEMBL29648363 0.80 CCR6 (0.41) CCR6CDK5CDK5R1KDM4EMEN1

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-119954725-A TEAD inhibitors and uses thereof 医肯纳肿瘤学公司 2025-05-09 — — CN disclosed
CN-114466839-B TEAD inhibitors and uses thereof 医肯纳肿瘤学公司 2025-01-07 — — CN disclosed
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