SCHEMBL8017392

SCHEMBL8017392

Cc1ccc(NC2=C(C#N)CCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.71
LMNA P02545 1/20 0.71
GAA P10253 2/20 0.40
DHODH Q02127 1/20 0.40
HPGD P15428 2/20 0.38
POLB P06746 2/20 0.38
HTT P42858 2/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 6/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2A6 P11509 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CSNK1D P48730 1/20 0.36
GSK3B P49841 1/20 0.36
CSNK1G2 P78368 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35

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
SCHEMBL8017383 0.83 MAPT (0.71) MAPTLMNAGAAPOLBHTT
SCHEMBL8017798 0.83 MAPT (0.71) MAPTLMNAGAADHODHHPGD
SCHEMBL8006080 0.83 LMNA (0.57) MAPTLMNAPOLBHTTMAPK1
SCHEMBL8015744 0.79 MAPT (0.66) MAPTLMNADHODHHPGDHTT
SCHEMBL8019487 0.78 MAPT (0.48) MAPTLMNAGAAPOLBHTT
SCHEMBL8018788 0.78 MAPT (0.48) MAPTLMNAHPGDPOLBHTT
SCHEMBL8006281 0.76 MAPT (0.60) MAPTLMNAGAAHPGDPOLB
SCHEMBL29152731 0.76 NPC1 (0.45) MAPTLMNAGAAHPGDPOLB
SCHEMBL29152729 0.73 NPC1 (0.46) MAPTLMNAGAAHPGDPOLB
SCHEMBL8015461 0.72 LMNA (0.57) MAPTLMNAPOLBHTTMAPK1

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
US-6130228-A Polycyclic compounds UNIVERSITY OF STRATHCLYDE (GB) 2000-10-10 US disclosed
EP-0877735-A1 POLYCYCLIC COMPOUNDS University of Strathclyde (GB) 1998-11-18 EP disclosed
WO-1997019929-A1 POLYCYCLIC COMPOUNDS THE UNIVERSITY OF STRATHCLYDE (GB) 1997-06-05 WO disclosed