SCHEMBL8153285

SCHEMBL8153285

C/C(=C\c1nn(C(C)C)c2ccc(Cl)cc12)[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
MAPT P10636 4/20 0.35
LMNA P02545 2/20 0.35
GPR35 Q9HC97 1/20 0.35
FBP1 P09467 4/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
ABL2 P42684 1/20 0.35
MAPK8 P45983 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
HTT P42858 2/20 0.34
PTGER1 P34995 1/20 0.32
POLB P06746 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL8153287 1.00 KDM4E (0.37) KDM4EMAPTLMNAGPR35FBP1
SCHEMBL8151839 0.84 KDM4C (0.38) MAPTLMNAFBP1ABL1EGFR
SCHEMBL8138769 0.70 FBP1 (0.38) MAPTLMNAFBP1ABL1EGFR
SCHEMBL8138764 0.70 FBP1 (0.38) MAPTLMNAFBP1ABL1EGFR
SCHEMBL8139015 0.68 HTR3A (0.41) KDM4EMAPTFBP1ABL1EGFR
SCHEMBL8139013 0.68 HTR3A (0.41) KDM4EMAPTFBP1ABL1EGFR
SCHEMBL905871 0.65 HTR2A (0.43) KDM4EMAPK8GABRA1GABRG2GABRB3
SCHEMBL6641843 0.65 MTNR1A (0.37) KDM4EMAPTLMNAFBP1ABL1
SCHEMBL6641840 0.65 MTNR1A (0.37) KDM4EMAPTLMNAFBP1ABL1
SCHEMBL1947929 0.65 GABRA1 (0.53) KDM4EMAPTLMNAGPR35FBP1

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-2000012482-A2 INDAZOLE DERIVATIVES WITH 5-HT2 RECEPTOR ACTIVITY VERNALIS RESEARCH LIMITED (GB) 2000-03-09 WO disclosed