SCHEMBL29113751

SCHEMBL29113751

CCc1ccc(C(=O)OCl)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
HCRTR1 O43613 2/20 0.39
HSD17B2 P37059 1/20 0.38
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
RAB9A P51151 2/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 2/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL28401900 0.85 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL14175211 0.84 TDP1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL27973172 0.81 KMT2A (0.50) ALDH1A1KMT2AMEN1RAB9AMAPT
SCHEMBL10914589 0.79 SMN1; SMN2 (0.52) ALDH1A1KMT2AMEN1RAB9AMAPT
SCHEMBL19354449 0.78 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL28401901 0.78 LMNA (0.45) KMT2AMEN1RAB9AMAPTSMN1; SMN2
SCHEMBL19409861 0.78 HSD17B1 (0.35) ALDH1A1SMN1; SMN2MAPK1LMNAMAOA
SCHEMBL2591830 0.77 EPHX2 (0.54) ALDH1A1KMT2AKDM4EMEN1RAB9A
SCHEMBL11811640 0.77 HSD17B1 (0.53) KMT2ARAB9AMAPTSMN1; SMN2MAPK1
SCHEMBL27542837 0.77 PDK1 (0.41) CA12CA1CA2CA7CA9

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-115232037-B Preparation method of benzoyl sulfamoyl-N-substituted benzamide compound 郑州手性药物研究院有限公司 2023-10-27 CN disclosed