SCHEMBL10774635

SCHEMBL10774635

CCc1cc(C(C)(C)C)cc([N+](=O)[O-])c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
HTT P42858 2/20 0.51
ALDH1A1 P00352 7/20 0.46
GPR35 Q9HC97 1/20 0.42
CYP3A4 P08684 5/20 0.39
MAPK1 P28482 4/20 0.38
TSHR P16473 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
NPC1 O15118 1/20 0.37
GLA P06280 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
MAPT P10636 4/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
G6PD P11413 1/20 0.36

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
SCHEMBL11870893 0.86 ALDH1A1 (0.55) POLBHTTALDH1A1GPR35CYP3A4
SCHEMBL15828733 0.84 CYP2C19 (0.53) POLBHTTALDH1A1GPR35CYP3A4
SCHEMBL10780772 0.81 ALDH1A1 (0.42) HTTALDH1A1GPR35CYP3A4MAPK1
SCHEMBL28980351 0.81 ALDH1A1 (0.69) POLBHTTALDH1A1GPR35CYP3A4
SCHEMBL15828729 0.81 POLB (0.55) POLBHTTALDH1A1GPR35CYP3A4
SCHEMBL30242516 0.81 ALDH1A1 (0.69) POLBHTTALDH1A1GPR35CYP3A4
SCHEMBL9684130 0.80 POLB (0.50) POLBHTTALDH1A1MAPTKDM4E
SCHEMBL1530696 0.79 ALDH1A1 (0.58) POLBHTTALDH1A1GPR35CYP3A4
SCHEMBL28219002 0.79 GPR35 (0.47) POLBHTTALDH1A1GPR35CYP3A4
SCHEMBL15828730 0.78 ALDH1A1 (0.51) POLBHTTALDH1A1GPR35CYP3A4

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-4704452-A YELLOW SHADES ON POLYESTERS CIBA-GEIGY CORPORATION (US) 1987-11-03 US disclosed
EP-0185620-A2 Monoazo compounds CIBA-GEIGY AG (CH) 1986-06-25 EP disclosed