SCHEMBL30135124

SCHEMBL30135124

COc1ccc(CN(C)S(=O)(=O)c2cnc(NCc3ccc(S(F)(F)(F)(F)F)cc3)c(Br)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ CA2 P00918 4/20 0.38
▸ CA12 O43570 3/20 0.38
▸ CA1 P00915 3/20 0.38
▸ CA9 Q16790 3/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ ACLY P53396 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA13 Q8N1Q1 1/20 0.36
▸ MMP2 P08253 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
SCHEMBL29206993 0.87 BMP1 (0.47) ALDH1A1CYP1A2CYP2D6MAPTCYP2C9
SCHEMBL30876228 0.87 BMP1 (0.47) ALDH1A1CYP1A2CYP2D6MAPTCYP2C9
SCHEMBL30129825 0.83 KAT8 (0.38) LMNAMEN1KMT2AACLYHDAC6
SCHEMBL30876275 0.82 NAMPT (0.46) MEN1KMT2AMMP9MMP13HDAC6
SCHEMBL29206926 0.82 NAMPT (0.46) MEN1KMT2AMMP9MMP13HDAC6
SCHEMBL30876233 0.77 L3MBTL1 (0.36) ALDH1A1L3MBTL1LMNAMEN1KMT2A
SCHEMBL30876248 0.77 MEN1 (0.37) ALDH1A1CYP1A2CYP2D6MAPTCYP2C9
SCHEMBL24497433 0.76 BMP1 (0.47) ALDH1A1MAPTLMNAKMT2AMMP9
SCHEMBL22718283 0.76 ACLY (0.49) ALDH1A1L3MBTL1LMNAMEN1KMT2A
SCHEMBL24497380 0.76 LMNA (0.44) ALDH1A1L3MBTL1LMNACA2CA12

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-118005606-A TEAD inhibitors 武汉人福创新药物研发中心有限公司 2024-05-10 — — CN disclosed
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