SCHEMBL7430259

SCHEMBL7430259

CO[N]CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.47
CYP2A6 P11509 2/20 0.47
MIF P14174 2/20 0.47
TRPA1 O75762 1/20 0.47
CYP2E1 P05181 1/20 0.47
CYP2A13 Q16696 1/20 0.47
EPAS1 Q99814 1/20 0.47
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TAAR1 Q96RJ0 4/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
SLC22A2 O15244 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
SCHEMBL10571996 0.78 HIF1A (0.44) HIF1ACYP2A6MIFTRPA1CYP2E1
SCHEMBL8251 0.76 NOS2 (0.43) CYP2A6MIFTRPA1GRIN1GRIN2B
SCHEMBL7867205 0.74 ALDH1A1 (0.44) HIF1ACYP2A6MIFTRPA1CYP2E1
SCHEMBL921157 0.73 HIF1A (0.52) HIF1ACYP2A6MIFTRPA1CYP2E1
SCHEMBL721250 0.72 HIF1A (0.56) HIF1ACYP2A6MIFTRPA1CYP2E1
SCHEMBL6335562 0.72 HIF1A (0.56) HIF1ACYP2A6MIFTRPA1CYP2E1
SCHEMBL8837171 0.70 HIF1A (0.48) HIF1ACYP2A6MIFTRPA1CYP2E1
SCHEMBL1885696 0.70 MIF (0.54) HIF1ACYP2A6MIFTRPA1CYP2E1
SCHEMBL8837167 0.70 HIF1A (0.48) HIF1ACYP2A6MIFTRPA1CYP2E1
SCHEMBL15999404 0.69 HIF1A (0.52) HIF1ACYP2A6MIFTRPA1CYP2E1

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
WO-2000012492-A1 BENZOXAZINE DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-09 WO disclosed