SCHEMBL7901193

SCHEMBL7901193

CC(c1[c]cccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
PHLPP2 Q6ZVD8 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 3/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ACHE P22303 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 2/20 0.40
HPGD P15428 2/20 0.40
CRHBP P24387 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL8939777 0.80 TYR (0.36) ALDH1A1LMNAKMT2AKDM4E
SCHEMBL8939712 0.80 TYR (0.36) ALDH1A1LMNAKMT2AKDM4E
SCHEMBL2468065 0.80 TYR (0.36) ALDH1A1LMNAKMT2AKDM4E
SCHEMBL2601112 0.78 ALDH1A1 (0.60) ALDH1A1LMNAL3MBTL1MAPTCYP1A2
SCHEMBL19334711 0.78 ALDH1A1 (0.60) ALDH1A1LMNAL3MBTL1MAPTCYP1A2
SCHEMBL27864585 0.76 ALDH1A1 (0.62) ALDH1A1LMNAL3MBTL1MAPTCYP1A2
SCHEMBL4433093 0.75
SCHEMBL8094399 0.73 ALOX5AP (0.38) ALDH1A1TSHR
SCHEMBL254528 0.72 ALDH1A1 (0.56) ALDH1A1LMNAL3MBTL1MAPTCYP1A2
SCHEMBL10654030 0.70 TSHR (0.57) ALDH1A1LMNAL3MBTL1MAPTCYP1A2

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-6284314-B1 Porous ceramic thin film and method for production thereof AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY, MINISTRY OF INTERNATIONAL TRADE & INDUSTRY (JP) 2001-09-04 US disclosed