SCHEMBL31332175

SCHEMBL31332175

CNS(=O)(=O)c1ccc(Nc2ccc(C(F)(F)F)cn2)cc1-c1cn(Cc2ccccc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNNI3K Q59H18 2/20 0.47
▸ MAPT P10636 2/20 0.45
▸ TEAD1 P28347 1/20 0.41
▸ YAP1 P46937 1/20 0.41
▸ LIPE Q05469 1/20 0.38
▸ CYP2E1 P05181 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2B6 P20813 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPK10 P53779 1/20 0.35
▸ HPGDS O60760 1/20 0.35
▸ NR1I2 O75469 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
SCHEMBL29704149 0.86 TNNI3K (0.47) TNNI3KMAPTTEAD1YAP1LIPE
SCHEMBL22718126 0.83 TEAD1 (0.55) TNNI3KMAPTTEAD1YAP1CYP2E1
SCHEMBL31331781 0.82 LIPE (0.41) TNNI3KMAPTLIPEKDM4EMEN1
SCHEMBL31331952 0.80 TNNI3K (0.47) TNNI3KMAPTTEAD1YAP1KDM4E
SCHEMBL31331820 0.79 TNNI3K (0.46) TNNI3KMAPTTEAD1YAP1KDM4E
SCHEMBL22843421 0.74 TEAD1 (0.41) MAPTTEAD1YAP1LIPECYP2E1
SCHEMBL22718107 0.73 TEAD1 (0.53) TNNI3KMAPTTEAD1YAP1KMT2A
SCHEMBL29438867 0.73 TEAD1 (0.53) TNNI3KMAPTTEAD1YAP1KMT2A
SCHEMBL24496353 0.71 TEAD1 (0.57) TNNI3KMAPTTEAD1YAP1
SCHEMBL22718153 0.70 MMP1 (0.40) TEAD1YAP1LIPEMEN1KMT2A

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