SCHEMBL11409092

SCHEMBL11409092

Cc1cc(O)n(-c2ccc(S(=O)(=O)O)cc2)c(=O)c1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.39
CA2 P00918 6/20 0.39
CA9 Q16790 6/20 0.39
CA12 O43570 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
PHLPP2 Q6ZVD8 1/20 0.35
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
NT5E P21589 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDR P35968 1/20 0.32

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
SCHEMBL9322999 0.84 KDM4E (0.45) CA1CA2CA9CA12L3MBTL1
SCHEMBL11424441 0.83 BRD4 (0.43) L3MBTL1LMNANPSR1MEN1KMT2A
SCHEMBL4651066 0.82 KDM4E (0.46) LMNANPSR1MEN1KMT2ACYP2C19
SCHEMBL8765647 0.81 ALDH1A1 (0.47) CA1CA9CA12L3MBTL1NPSR1
SCHEMBL11409344 0.79 CA12 (0.40) CA1CA2CA9CA12PHLPP2
SCHEMBL11441344 0.73 RAB9A (0.56) LMNAKMT2AALDH1A1MAPTKDR
SCHEMBL8985005 0.73 ALDH1A1 (0.54) L3MBTL1MEN1KMT2ACYP2C19ALDH1A1
SCHEMBL11421085 0.73 HPN (0.46) LMNAMEN1KMT2AALDH1A1TSHR
SCHEMBL11432878 0.71 HSD17B10 (0.47) NPSR1MEN1KMT2AALDH1A1MAPT
SCHEMBL11427444 0.71 BRD4 (0.44) CA1CA2L3MBTL1NPSR1MEN1

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-4229171-A Process for the preparation of fiber-reactive dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1980-10-21 US disclosed