SCHEMBL11525372

SCHEMBL11525372

CC(=O)CC(=O)Nc1cccc(S(=O)(=O)CCOP(=O)(O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
ALDH1A1 P00352 6/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.42
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
MAPK1 P28482 1/20 0.40
MAPK10 P53779 1/20 0.40
ATM Q13315 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL9463823 0.84 CA1 (0.48) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL11528477 0.80 CA1 (0.46) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL13306088 0.77 LMNA (0.60) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL5705537 0.76 CA1 (0.57) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL10711401 0.74 CA1 (0.78) CA1CA2KMT2AMAPTCA4
SCHEMBL24028047 0.73 CA1 (0.55) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL29466714 0.73 CA1 (0.55) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL9809412 0.73 ALDH1A1 (0.47) CA1CA2ALDH1A1LMNAPKM
SCHEMBL24027875 0.72 LMNA (0.65) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL14524160 0.72 CA1 (0.54) CA1CA2ALDH1A1MEN1KMT2A

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-4139527-A FOR LEATHER, CELLULOSE, WOOL, SILK, POLYAMIDES HOECHST AKTIENGESELLSCHAFT (DE) 1979-02-13 US disclosed