SCHEMBL11786286

SCHEMBL11786286

COc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)cc2C)cc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
CASR P41180 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
HPGD P15428 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL11782589 0.91 ALDH1A1 (0.52) ALDH1A1L3MBTL1LMNAHTTCA1
SCHEMBL11784848 0.87 PDE4D (0.52) ALDH1A1L3MBTL1LMNAHTTCA1
SCHEMBL11786406 0.87 L3MBTL1 (0.49) ALDH1A1L3MBTL1CYP1A2CYP2C19PKM
SCHEMBL11785068 0.86 ALDH1A1 (0.50) ALDH1A1LMNACASRSMN1; SMN2CYP1A2
SCHEMBL11788253 0.83 TAS1R3 (0.54) L3MBTL1LMNAHTTCA1CA2
SCHEMBL11785091 0.83 GAA (0.57) ALDH1A1L3MBTL1LMNAHTTCA1
SCHEMBL2295683 0.81 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2HPGDKMT2A
SCHEMBL11787325 0.81 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2KMT2AKDM4E
SCHEMBL11785136 0.77 MEN1 (0.56) ALDH1A1L3MBTL1LMNAHTTSMN1; SMN2
SCHEMBL11592419 0.77 SMN1; SMN2 (0.55) ALDH1A1L3MBTL1LMNAHTTSMN1; SMN2

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
US-3997523-A SULFONATED BIS(AMIDO)PHENYL AZO NAPHTHALENE HOECHST AKTIENGESELLSCHAFT (DT) 1976-12-14 US disclosed