SCHEMBL9109568

SCHEMBL9109568

[CH2]/C=C/Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
LMNA P02545 2/20 0.52
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
FBP1 P09467 1/20 0.46
VCP P55072 1/20 0.46
ALDH1A1 P00352 4/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
ACHE P22303 1/20 0.44
PYCR1 P32322 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALOX15 P16050 1/20 0.44
NFE2L2 Q16236 1/20 0.44

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
SCHEMBL6158117 1.00 TSHR (0.57) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL7076642 0.87 TSHR (0.57) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL27492647 0.83 TSHR (0.57) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL29624517 0.83 TSHR (0.57) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL28743562 0.83 TSHR (0.57) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL9452244 0.83 TSHR (0.57) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL9452246 0.83 TSHR (0.57) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL28743560 0.83 TSHR (0.57) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL7077091 0.83 TSHR (0.61) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL28268178 0.83 TSHR (0.61) TSHRLMNACYP1A2CYP2D6CYP2C9

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
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed