SCHEMBL7972705

SCHEMBL7972705

COc1ccccc1C=CC=[N+]([O-])c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
NFE2L2 Q16236 5/20 0.53
TRPA1 O75762 1/20 0.53
TFEB P19484 1/20 0.46
BCHE P06276 2/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
CYP1A1 P04798 3/20 0.45
CYP1A2 P05177 3/20 0.45
CYP1B1 Q16678 3/20 0.45
KDM4E B2RXH2 3/20 0.45
PRMT1 Q99873 1/20 0.44
CYP19A1 P11511 1/20 0.44
TLR4 O00206 1/20 0.42
TLR2 O60603 1/20 0.42
ALDH1A1 P00352 2/20 0.41
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL9316426 0.86 NPC1 (0.50) NPC1RAB9ANFE2L2TRPA1TFEB
SCHEMBL31538753 0.86 NPC1 (0.50) NPC1RAB9ANFE2L2TRPA1TFEB
SCHEMBL9315739 0.84 MEN1 (0.54) NPC1RAB9ANFE2L2TFEBBCHE
SCHEMBL11410414 0.81 NFE2L2 (0.49) NPC1RAB9ANFE2L2TRPA1TFEB
SCHEMBL793033 0.75 PRMT1 (0.73) NPC1RAB9ANFE2L2TRPA1TFEB
SCHEMBL793032 0.75 PRMT1 (0.73) NPC1RAB9ANFE2L2TRPA1TFEB
SCHEMBL27394119 0.75 PRMT1 (0.73) NPC1RAB9ANFE2L2TRPA1TFEB
SCHEMBL4019329 0.74 NFE2L2 (0.79) NPC1RAB9ANFE2L2TRPA1TFEB
SCHEMBL1603719 0.74 NFE2L2 (0.79) NPC1RAB9ANFE2L2TRPA1TFEB
SCHEMBL7915752 0.74 NFE2L2 (0.79) NPC1RAB9ANFE2L2TRPA1TFEB

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
JP-5043539-A None JP disclosed
US-6277545-B1 FORMING PHOTORESIST, IRADIATING WITH LASER PIONEER ELECTRONIC CORPORATION (JP) 2001-08-21 US disclosed
JP-H0543539-A ALPHA-(O-(METHOXY)STYRYL)-N-PHENYLNITRONE AND CONTRAST ENHANCED MATERIAL SHIN ETSU CHEM CO LTD 1993-02-23 JP disclosed