SCHEMBL7728892

SCHEMBL7728892

Cc1ccc(-c2ccc(-c3ccccc3)c(N)c2-c2ccc(C)c(C)c2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGS2 P35354 6/20 0.43
PTGS1 P23219 3/20 0.43
ESR2 Q92731 1/20 0.40
DHFR P00374 1/20 0.38
HTR7 P34969 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NPC1 O15118 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
HBB P68871 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SENP7 Q9BQF6 1/20 0.37

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
SCHEMBL538610 0.83 ALDH1A1 (0.43) ALDH1A1MAPK1MEN1LMNAMAPT
Ammonia Solution, Strong SCHEMBL5878673 0.81 MEN1 (0.43) ALDH1A1MAPK1MEN1LMNAMAPT
SCHEMBL5440206 0.80 ALDH1A1 (0.43) ALDH1A1MAPK1MEN1LMNAMAPT
SCHEMBL8573252 0.79 ADORA2A (0.42) ALDH1A1MEN1LMNAMAPTKMT2A
SCHEMBL27685032 0.78 NPC1 (0.52) ALDH1A1MAPK1MEN1MAPTKMT2A
SCHEMBL5414111 0.78 ALDH1A1 (0.50) ALDH1A1MAPK1MEN1LMNAMAPT
SCHEMBL16178332 0.78 HSD17B10 (0.48) ALDH1A1MAPK1MEN1LMNAMAPT
SCHEMBL29638163 0.78 HSD17B10 (0.48) ALDH1A1MAPK1MEN1LMNAMAPT
SCHEMBL28130162 0.78 HSD17B10 (0.48) ALDH1A1MAPK1MEN1LMNAMAPT
SCHEMBL10608496 0.78 HSD17B10 (0.48) ALDH1A1MAPK1LMNAMAPTDHFR

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-6395440-B1 CHARGE TRANSFER COMPOUND; CHARGE GENERATING COMPOUND FUJI XEROX CO., LTD. (JP) 2002-05-28 US disclosed