SCHEMBL5234728

SCHEMBL5234728

NN=C(Cc1ccnc2ccccc12)c1cc(Cl)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.44
CYP1A2 P05177 2/20 0.44
FADS1 O60427 2/20 0.41
TGFBR1 P36897 1/20 0.37
NCF1 P14598 1/20 0.36
NR4A2 P43354 1/20 0.36
FERMT2 Q96AC1 2/20 0.36
FLT1 P17948 2/20 0.36
KDR P35968 2/20 0.36
EGFR P00533 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LCK P06239 1/20 0.35
IDO1 P14902 1/20 0.35
XIAP P98170 1/20 0.34
BIRC2 Q13490 1/20 0.34

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
SCHEMBL5237340 1.00 LOXL2 (0.44) LOXL2CYP1A2FADS1TGFBR1NCF1
SCHEMBL5234977 0.84 LOXL2 (0.49) LOXL2CYP1A2NCF1FERMT2CYP3A4
SCHEMBL5237043 0.84 LOXL2 (0.49) LOXL2CYP1A2NCF1FERMT2CYP3A4
SCHEMBL5241402 0.84 FADS1 (0.46) LOXL2CYP1A2FADS1TGFBR1FLT1
SCHEMBL5241399 0.84 FADS1 (0.46) LOXL2CYP1A2FADS1TGFBR1FLT1
SCHEMBL5237978 0.82 CYP1A2 (0.42) LOXL2CYP1A2NCF1FERMT2KDR
SCHEMBL5241334 0.82 CYP1A2 (0.42) LOXL2CYP1A2NCF1FERMT2KDR
SCHEMBL5238458 0.82 LOXL2 (0.46) LOXL2CYP1A2FADS1NCF1FERMT2
SCHEMBL5238455 0.82 LOXL2 (0.46) LOXL2CYP1A2FADS1NCF1FERMT2
SCHEMBL5236327 0.81 LOXL2 (0.43) LOXL2CYP1A2FADS1TGFBR1NCF1

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
EP-1397364-B1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS LILLY CO ELI (US) 2007-07-25 EP disclosed