SCHEMBL6760836

SCHEMBL6760836

c1ccc(CSn2ccnn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.50
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2D6 P10635 3/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
MEN1 O00255 1/20 0.35
ALOX12 P18054 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A1 P04798 1/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
CYP11B1 P15538 1/20 0.34

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
SCHEMBL7164006 0.98 CYP19A1 (0.49) CYP19A1HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL6988243 0.76 HSD17B10 (0.41) CYP19A1HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL917244 0.71 CYP19A1 (0.41) CYP19A1HSD17B10ALDH1A1CYP1A1MAPT
SCHEMBL25292589 0.68 CYP19A1 (0.48) CYP19A1HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL6051996 0.68 SMN1; SMN2 (0.41) HSD17B10ALDH1A1KDM4ENPC1RAB9A
SCHEMBL27678809 0.67
SCHEMBL28428617 0.67 CTSL (0.42) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C9
Acetonitrile SCHEMBL8515908 0.67 ALDH1A1 (0.37) ALDH1A1KDM4ENPC1RAB9AKMT2A
SCHEMBL155247 0.67 CYP19A1 (1.00) CYP19A1CYP1A2CYP3A4CYP2D6CYP1A1
SCHEMBL6052090 0.67 SMN1; SMN2 (0.40) HSD17B10ALDH1A1NPC1RAB9APOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107428696-A Sulfonylureas and related compounds and uses thereof 昆士兰大学 2017-12-01 CN disclosed
EP-3074011-A1 OCTAHYDRO FUSED AZADECALIN GLUCOCORTICOID RECEPTOR MODULATORS Corcept Therapeutics, Inc. (US) 2016-10-05 EP disclosed
WO-2015077530-A1 OCTAHYDRO FUSED AZADECALIN GLUCOCORTICOID RECEPTOR MODULATORS CORCEPT THERAPEUTICS, INC. (US) 2015-05-28 WO disclosed
US-6828070-B2 Heat sensitive element FUJI PHOTO FILM CO., LTD. (JP) 2004-12-07 US disclosed