SCHEMBL27898751

SCHEMBL27898751

Cc1cc(-c2csc(N)n2)cc(C)c1OCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.42
RAB9A P51151 7/20 0.42
NPC1 O15118 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LTA4H P09960 6/20 0.41
MAPT P10636 6/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 2/20 0.38
NFKB1 P19838 2/20 0.38
GFER P55789 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AR P10275 1/20 0.38
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37

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
SCHEMBL473573 0.84 TRPA1 (0.43) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL474234 0.84 ALDH1A1 (0.53) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL27916466 0.81 ALDH1A1 (0.44) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL27898682 0.80 ALDH1A1 (0.44) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL27916452 0.79 ALDH1A1 (0.43) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL16003853 0.79 ALDH1A1 (0.56) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL27986837 0.78 LTA4H (0.40) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL3140677 0.78 ALDH1A1 (0.52) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL28814662 0.78 LTA4H (0.44) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL2380192 0.77 HSD17B10 (0.42) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105906617-A Modulators of HEC1 activity and methods thereof 泰纬生命科技股份有限公司 2016-08-31 CN disclosed
CN-103038231-B Modulators of HEC1 activity and methods thereof Taivex Therapeutics Corp. (CN) 2016-04-20 CN disclosed
CN-103038231-A Modulators of HEC1 activity and methods thereof TAIVEX THERAPEUTICS INC 2013-04-10 CN disclosed