SCHEMBL2574501

SCHEMBL2574501

Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL27263689 0.87 LMNA (0.56) LMNAALDH1A1MAPK1HSD17B10KDM4E
SCHEMBL10710003 0.82 AKR1C4 (0.56) LMNAALDH1A1MAPK1CA12CA1
SCHEMBL3898096 0.80 LMNA (0.50) LMNAALDH1A1MAPK1HSD17B10KDM4E
SCHEMBL27719001 0.79 LMNA (0.49) LMNAALDH1A1MAPK1HSD17B10KDM4E
SCHEMBL17202484 0.76 LMNA (0.64) LMNAALDH1A1CA12CA1CA2
SCHEMBL1259483 0.76 LMNA (0.59) LMNAALDH1A1MAPK1CA12CA1
SCHEMBL286633 0.75 MYC (0.56) ALDH1A1CA12CA1CA2CA3
SCHEMBL2226763 0.75 AKR1C3 (0.61) LMNAALDH1A1HSD17B10KDM4EMEN1
SCHEMBL29454359 0.75 MYC (0.56) ALDH1A1CA12CA1CA2CA3
SCHEMBL21609786 0.73 AKR1C4 (0.44) ALDH1A1CA12CA1CA2CA7

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
WO-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed