SCHEMBL5345162

SCHEMBL5345162

Nc1ccc(-c2ccc(N)c(=Cc3ccccc3)c2=Cc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.42
CYP19A1 P11511 2/20 0.42
MAOA P21397 2/20 0.42
HSD17B10 Q99714 3/20 0.42
CYP3A4 P08684 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
HTR6 P50406 1/20 0.37
ALDH1A1 P00352 4/20 0.35
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
CYP1B1 Q16678 1/20 0.33
PRKCZ Q05513 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 2/20 0.33

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
SCHEMBL5342276 0.74 RAB9A (0.45) CYP19A1HSD17B10CYP3A4TDP1MEN1
SCHEMBL652643 0.71 CYP19A1 (0.55) MAOBCYP19A1MAOAHSD17B10CYP3A4
Benzene SCHEMBL27415544 0.68 CYP3A4 (0.44) HSD17B10CYP3A4TDP1TAAR1ALDH1A1
SCHEMBL5346830 0.68 CYP19A1 (0.46) MAOBCYP19A1MAOAHSD17B10CYP3A4
SCHEMBL9342188 0.67 PRKCZ (0.48) HSD17B10CYP3A4TDP1TAAR1ALDH1A1
Benzene SCHEMBL27878955 0.67 HSD17B10 (0.48) MAOBMAOAHSD17B10CYP3A4TDP1
SCHEMBL651427 0.67 HSD17B10 (0.54) MAOAHSD17B10CYP3A4TDP1TAAR1
SCHEMBL9550986 0.67 HSD17B10 (0.54) MAOAHSD17B10CYP3A4TDP1TAAR1
SCHEMBL38925 0.67 HSD17B10 (0.54) MAOAHSD17B10CYP3A4TDP1TAAR1
SCHEMBL21557168 0.66 HSD17B10 (0.67) HSD17B10CYP3A4TDP1TAAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186448-B2 Composition and method for temporarily fixing solid JSR CORPORATION (JP) 2007-03-06 US disclosed
US-20060275939-A1 Composition and method for temporarily fixing solids JSR CORPORATION (JP) 2006-12-07 US disclosed
EP-1522567-A1 COMPOSITION AND METHOD FOR TEMPORARILY FIXING SOLID JSR Corporation (JP) 2005-04-13 EP disclosed
US-20040185187-A1 Composition and method for temporarily fixing solid JSR CORPORATION (JP) 2004-09-23 US disclosed