SCHEMBL8685779

SCHEMBL8685779

[C]1=[C]Nc2ccccc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
NPC1 O15118 2/20 0.35
AHR P35869 1/20 0.35
PDK2 Q15119 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
HSP90AA1 P07900 1/20 0.35
THRB P10828 1/20 0.35
HK1 P19367 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
GALK1 P51570 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PLAU P00749 1/20 0.34
MAPK13 O15264 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
SCHEMBL19678 0.78
SCHEMBL452239 0.74 MAPT (0.35) MAPTNPC1AHRPDK2KDM4E
SCHEMBL3876165 0.70 GAA (0.36) MAPTMEN1KMT2AALOX15GAA
SCHEMBL209284 0.65 NPC1 (0.34) MAPTNPC1AHRPDK2KDM4E
SCHEMBL429453 0.65 ALOX15 (0.43) MAPTNPC1AHRPDK2KDM4E
SCHEMBL208617 0.65 ALOX15 (0.39) MAPTNPC1AHRPDK2KDM4E
SCHEMBL2655668 0.65 PLAU (0.42) MAPTNPC1AHRPDK2KDM4E
SCHEMBL2203 0.65 NPC1 (0.42) MAPTNPC1AHRPDK2KDM4E
SCHEMBL447750 0.65 NPC1 (0.34) MAPTNPC1AHRPDK2KDM4E
SCHEMBL1267195 0.64 PLAU (0.45) MAPTNPC1AHRPDK2KDM4E

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-5834575-A POLYIMIDE OR POLYACRYLATE WITH PENDANT GROUP CONTAINING THIOPHENE RING, BENZENE RING AND VICINAL NITRILE GROUPS, SWITCHES FOR OPTICAL SIGNALS, COMMUNICATION TECHNOLOGY HITACHI CHEMICAL COMPANY, LTD. (JP) 1998-11-10 US disclosed