SCHEMBL8170983

SCHEMBL8170983

Clc1cccc(N(c2ccccc2)C2(N(c3ccccc3)c3cccc(Cl)c3)C=CC(c3ccccc3)=CC2)c1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.32
MAPT P10636 1/20 0.32
TP53 P04637 2/20 0.31
NPC1 O15118 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTAFR P25105 1/20 0.30
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
HTR3A P46098 1/20 0.30
HTR3D Q70Z44 1/20 0.30
HTR3C Q8WXA8 1/20 0.30

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
SCHEMBL2678836 0.97 NOS2 (0.31) NOS2MAPT
SCHEMBL9192031 0.91
SCHEMBL5579449 0.88 CYP1A2 (0.35)
SCHEMBL27803072 0.87
SCHEMBL18274596 0.84 ALDH1A1 (0.35) MAPTTSHR
SCHEMBL188139 0.84 HSD17B1 (0.32) NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL29958416 0.84 HSD17B1 (0.32) NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL710237 0.84 HSD17B1 (0.32) NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL29569369 0.84 HSD17B1 (0.32) NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL5788707 0.83

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-6165661-A Perylene compositions XEROX CORPORATION (US) 2000-12-26 US disclosed
EP-0314195-B1 Electrophotographic sensitive material MITA INDUSTRIAL CO LTD (JP) 1995-03-22 EP disclosed
EP-0314195-A2 Electrophotographic sensitive material MITA INDUSTRIAL CO. LTD. (JP) 1989-05-03 EP disclosed