SCHEMBL30114488

SCHEMBL30114488

COc1ccc(CN(C)S(=O)(=O)c2ccc(Nc3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BMP1 P13497 3/20 0.60
▸ ALDH1A1 P00352 3/20 0.51
▸ NR1H3 Q13133 1/20 0.49
▸ PTGER1 P34995 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ LMNA P02545 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ TAS2R14 Q9NYV8 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ADRB2 P07550 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ TRPV4 Q9HBA0 1/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP13 P45452 1/20 0.44

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
SCHEMBL30114634 0.87 BMP1 (0.50) BMP1ALDH1A1NR1H3PTGER1KDM4E
SCHEMBL24880306 0.86 BMP1 (0.52) BMP1ALDH1A1NR1H3PTGER1KDM4E
SCHEMBL24497433 0.82 BMP1 (0.47) BMP1ALDH1A1NR1H3PTGER1KDM4E
SCHEMBL24497406 0.80 BMP1 (0.43) BMP1PTGER1KDM4EKMT2ALMNA
SCHEMBL30114163 0.79 ALDH1A1 (0.46) BMP1ALDH1A1LMNATAS2R14MMP9
SCHEMBL6958238 0.78 TAS2R14 (0.64) ALDH1A1KMT2ATAS2R14
SCHEMBL10994568 0.77 GAA (0.68) ALDH1A1KDM4EKMT2ATP53MAPT
SCHEMBL30114282 0.76 ALDH1A1 (0.43) BMP1ALDH1A1KMT2ALMNAMAPT
SCHEMBL29966020 0.76 LMNA (0.63) ALDH1A1KMT2ATP53LMNAMAPT
SCHEMBL30014545 0.75 APLNR (0.51) KMT2ALMNATAS2R14MEN1HTT

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-115594680-A TEAD inhibitor 武汉人福创新药物研发中心有限公司(CN) 2023-01-13 — — CN disclosed
Send feedback