SCHEMBL10401904

SCHEMBL10401904

CC([C]=S)Sc1nncn1C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CBLB Q13191 8/20 0.44
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL10401905 0.75 CBLB (0.44) CBLBALDH1A1ALOX15HSD17B10NPC1
SCHEMBL10402864 0.70 LMNA (0.39) ALDH1A1HSD17B10NPC1RAB9AMAPT
SCHEMBL10402228 0.64 L3MBTL1 (0.53) ALDH1A1HSD17B10RAB9AMAPTMEN1
Hydrochloric Acid SCHEMBL9098101 0.63 ALDH1A1 (0.43) CBLBALDH1A1HSD17B10NPC1RAB9A
SCHEMBL21200405 0.63 CBLB (0.67) CBLB
SCHEMBL21200350 0.63 CBLB (0.59) CBLB
SCHEMBL21200000 0.63 CBLB (0.67) CBLB
SCHEMBL21199997 0.63 CBLB (0.67) CBLB
SCHEMBL21200726 0.62 CBLB (1.00) CBLB
SCHEMBL21212630 0.62 CBLB (1.00) CBLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 EP disclosed