SCHEMBL11001990

SCHEMBL11001990

O=c1cc(/C=C/c2cccnc2)nc2sc(SCc3ccc(F)cc3)nn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NAMPT P43490 2/20 0.38
TDP1 Q9NUW8 2/20 0.37
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
KLKB1 P03952 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
POLB P06746 3/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 4/20 0.36
PKM P14618 3/20 0.36
TERT O14746 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
NPSR1 Q6W5P4 2/20 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
SCHEMBL11001441 0.92 PKM (0.44) GRM5L3MBTL1TDP1POLBKMT2A
SCHEMBL10997683 0.91 HTT (0.47) GRM5POLBKMT2AALDH1A1MAPT
SCHEMBL10997983 0.91 HTT (0.46) GRM5L3MBTL1TDP1POLBKMT2A
SCHEMBL11002540 0.89 HTT (0.41) L3MBTL1TDP1POLBALDH1A1KDM4E
SCHEMBL11005519 0.86 PKM (0.46) L3MBTL1POLBALDH1A1KDM4EMAPT
SCHEMBL11003901 0.84 HTT (0.49) TDP1POLBALDH1A1KDM4ESMN1; SMN2
SCHEMBL11004662 0.84 HTT (0.48) L3MBTL1TDP1POLBALDH1A1KDM4E
SCHEMBL11001673 0.84 GRM5 (0.38) GRM5POLBALDH1A1KDM4EMAPT
SCHEMBL11002155 0.84 HTT (0.42) GRM5POLBKMT2AALDH1A1MAPT
SCHEMBL10997874 0.83 KDM4E (0.44) GRM5NAMPTPOLBALDH1A1KDM4E

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-4537962-A ANTIULCER, ANTISECRETORY AGENTS FARMITALIA CARLO ERBA, S.P.A. (IT) 1985-08-27 US disclosed