SCHEMBL7417466

SCHEMBL7417466

NS(=O)(=O)c1cc2c(c(C(=O)O)c1)OCCCN2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.39
CA12 O43570 5/20 0.39
CA1 P00915 5/20 0.39
CA9 Q16790 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 3/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP2C9 P11712 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
PHLPP2 Q6ZVD8 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPT P10636 1/20 0.31
CA5A P35218 4/20 0.31
CA7 P43166 4/20 0.31
CA5B Q9Y2D0 4/20 0.31
CA4 P22748 3/20 0.31
CA3 P07451 3/20 0.31
CA6 P23280 3/20 0.31
CA14 Q9ULX7 3/20 0.31

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
SCHEMBL7408236 0.87 LMNA (0.38) SMN1; SMN2ALDH1A1KDM4EMAPTPKM
SCHEMBL7416511 0.85 YAP1 (0.41) CA2CA12CA1CA9HSD17B10
SCHEMBL7405436 0.84 NPC1 (0.34) SMN1; SMN2ALDH1A1
SCHEMBL12598051 0.78 ACLY (0.33) SMN1; SMN2KDM4EMAPT
SCHEMBL7406591 0.78 HSD17B10 (0.38) CA2CA1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL11152798 0.75 ALDH1A1 (0.42) CA2CA12CA1CA9SMN1; SMN2
SCHEMBL7410107 0.73 ALDH1A1 (0.35) SMN1; SMN2HSD17B10ALDH1A1KDM4EMAPT
SCHEMBL7412325 0.72 ALDH1A1 (0.33) ALDH1A1KDM4EPKM
SCHEMBL1548498 0.72 ALOX5 (0.38) SMN1; SMN2HSD17B10ALDH1A1KDM4EMAPT
SCHEMBL7413113 0.69 SMN1; SMN2 (0.42) SMN1; SMN2KDM4E

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-4935511-A Nervous system, gastrointestinal disorders RORER PHARMACEUTICAL CORPORATION (US) 1990-06-19 US disclosed