SCHEMBL9636637

SCHEMBL9636637

CC1=CSc2ccccc2C(=O)N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
GSK3B P49841 1/20 0.45
MAPT P10636 3/20 0.41
POLB P06746 2/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK10 P53779 1/20 0.41
CASP3 P42574 2/20 0.39
CASP7 P55210 2/20 0.39
CASP6 P55212 2/20 0.39
CASP8 Q14790 2/20 0.39
CASP2 P42575 1/20 0.39
ACVR1 Q04771 2/20 0.38
LRRK2 Q5S007 2/20 0.38
PDGFRA P16234 1/20 0.38
FER P16591 1/20 0.38
LTK P29376 1/20 0.38

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
SCHEMBL18664157 0.72 NOX1 (0.48) L3MBTL1MAPTPOLBHPGDTDP1
SCHEMBL23018616 0.68 L3MBTL1 (0.54) L3MBTL1GSK3BMAPTPOLBHPGD
SCHEMBL21375011 0.67 L3MBTL1 (0.53) L3MBTL1GSK3BMAPTPOLBHPGD
SCHEMBL3194688 0.67 L3MBTL1 (0.58) L3MBTL1GSK3BMAPTPOLBHPGD
SCHEMBL9636556 0.66 ALDH1A1 (0.35) MAPTTDP1HSD17B10ALDH1A1ACVR1
SCHEMBL4093743 0.66 MAPT (0.64) L3MBTL1GSK3BMAPTPOLBHPGD
SCHEMBL8988 0.65 L3MBTL1 (1.00) L3MBTL1GSK3BMAPTPOLBHPGD
Phthalimide SCHEMBL23063638 0.65 GSK3B (0.88) L3MBTL1GSK3BMAPTPOLBHPGD
SCHEMBL23018613 0.65 L3MBTL1 (0.58) L3MBTL1MAPTPOLBHPGDTDP1
SCHEMBL23018540 0.65 L3MBTL1 (0.58) L3MBTL1MAPTPOLBHPGDTDP1

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
EP-0368063-B1 PROCESS FOR THE CHLORINATION IN THE NUCLEUS OF AROMATIC HYDROCARBONS BAYER AG (DE) 1992-06-10 EP disclosed
US-4990707-A Process for the ring chlorination of aromatic hydrocarbons BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed