SCHEMBL9809100

SCHEMBL9809100

Cc1c(SC#N)c(=O)n(-c2cccc3ccccc23)n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
ALOX12 P18054 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP19A1 P11511 1/20 0.38
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.37
PKM P14618 1/20 0.36
POLB P06746 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
GSR P00390 1/20 0.36

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
SCHEMBL9809089 0.85 GSK3A (0.41) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL9809097 0.83 GSK3A (0.40) MAPTALDH1A1HPGDGSK3AGSK3B
SCHEMBL11611721 0.79 GSK3A (0.45) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL3882745 0.78 CYP19A1 (0.56) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL536896 0.77 CYP19A1 (0.55) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9809062 0.76 CYP19A1 (0.38) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9809111 0.73 CYP19A1 (0.37) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL9809125 0.72 CYP19A1 (0.44) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9809064 0.72 NOX4 (0.45) MAPTALDH1A1MEN1KMT2ACYP19A1
SCHEMBL9809107 0.70 CYP19A1 (0.43) MAPTALDH1A1MEN1KMT2AL3MBTL1

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-5063245-A Hormone inhibitors NOVA PHARMACEUTICAL CORPORATION (US) 1991-11-05 US disclosed