SCHEMBL11073077

SCHEMBL11073077

C=CCNc1cccc(C(=O)CS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.53
RECQL P46063 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA12 O43570 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
CA1 P00915 2/20 0.45
AKR1C3 P42330 1/20 0.44

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
SCHEMBL11302159 0.86 HSD11B1 (0.57) HSD11B1RECQLMEN1KMT2ANPC1
SCHEMBL10832665 0.78 AKR1C3 (0.45) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL877659 0.78 AKR1C3 (0.59) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL11075790 0.78 NR4A2 (0.49) NPC1ALDH1A1RAB9AKDM4EHPGD
SCHEMBL370664 0.77 AKR1C3 (0.44) NPC1ALDH1A1RAB9AKDM4EHPGD
SCHEMBL452973 0.74 HSD11B1 (0.77) HSD11B1RECQLMEN1KMT2ANPC1
Isophthalic Acid SCHEMBL27427891 0.74 AKR1C3 (0.54) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL10972252 0.74 CA1 (0.50) ALDH1A1TSHRHSD17B10CA12CA2
SCHEMBL370685 0.74 HCAR3 (0.44) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL29609513 0.73 HSD11B1 (0.74) HSD11B1RECQLMEN1KMT2ANPC1

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-4440940-A HYPOLIPIDEMIC AND ANTIATHEROSCLEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1984-04-03 US disclosed