SCHEMBL10728895

SCHEMBL10728895

CCCCc1cnc(-c2ccc(F)c(F)c2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.50
RAB9A P51151 8/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
NPC1 O15118 6/20 0.47
MAPT P10636 4/20 0.47
HSD17B10 Q99714 3/20 0.47
NFKB1 P19838 3/20 0.47
KDM4E B2RXH2 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
USP2 O75604 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
PKM P14618 2/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL7516234 0.95 RARB (0.56) RARBRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL10731135 0.94 RARB (0.58) RARBRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL10733402 0.94 RARB (0.58) RARBRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL7519352 0.90 RAB9A (0.51) RARBRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL15783706 0.90 RARB (0.57) RARBRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL8380866 0.88 RARB (0.59) RARBRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL10557320 0.88 RARB (0.48) RARBRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL10559769 0.85 RARB (0.52) RARBRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL10561170 0.85 RARB (0.52) RARBRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL17225153 0.85 RARB (0.46) RARBRAB9ASMN1; SMN2NPC1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4640795-A REDUCED OPERATING VOLTAGE CHISSO CORPORATION (JP) 1987-02-03 US claimed
US-4640795-A REDUCED OPERATING VOLTAGE CHISSO CORPORATION (JP) 1987-02-03 US disclosed