SCHEMBL18458656

SCHEMBL18458656

N#Cc1c(-c2ccccc2F)csc1Nc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.49
ADORA2A P29274 5/20 0.49
ADORA2B P29275 3/20 0.49
MAPT P10636 5/20 0.43
HTT P42858 2/20 0.43
RECQL P46063 1/20 0.43
MAP2K1 Q02750 1/20 0.43
LMNA P02545 1/20 0.42
ALDH1A1 P00352 7/20 0.40
GAA P10253 3/20 0.40
HPGD P15428 3/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.37
VCP P55072 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALOX12 P18054 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
SCHEMBL18459062 0.83 MAPT (0.43) ADORA1ADORA2AADORA2BMAPTHTT
SCHEMBL18458828 0.82 MAPT (0.48) ADORA1ADORA2AADORA2BMAPTHTT
SCHEMBL18458436 0.81 MAPT (0.39) ADORA1ADORA2AADORA2BMAPTHTT
SCHEMBL18459063 0.76 ALOX5 (0.49) ADORA1ADORA2AMAPTHTTRECQL
SCHEMBL11808195 0.74 KMT2A (0.36) ADORA1ADORA2AADORA2BHTTALDH1A1
SCHEMBL6055534 0.67 HTT (0.49) ADORA1ADORA2AADORA2BMAPTHTT
SCHEMBL2569036 0.67 ADORA1 (0.46) ADORA1ADORA2AADORA2BHTTALDH1A1
SCHEMBL18458448 0.67 MAPT (0.40) ADORA1ADORA2AADORA2BMAPTHTT
SCHEMBL18458659 0.65 ALDH1A1 (0.41) HTTRECQLLMNAALDH1A1HPGD
SCHEMBL2455711 0.64 ADORA1 (0.46) ADORA1ADORA2AADORA2BMAPTHTT

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
WO-2017018617-A1 NOVEL COMPOUND, PHOTOSENSITIVE RESIN COMPOSITION CONTAINING SAME, AND COLOR FILTER 삼성에스디아이 주식회사 2017-02-02 WO disclosed