SCHEMBL6640971

SCHEMBL6640971

[CH2]Cc1c(N)c(N)cc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 4/20 0.39
HPGD P15428 2/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
KEAP1 Q14145 1/20 0.39
HPRT1 P00492 1/20 0.37
KDM4E B2RXH2 3/20 0.37
POLB P06746 2/20 0.37
HTT P42858 1/20 0.37
RAD52 P43351 1/20 0.37
HIF1A Q16665 1/20 0.35
CYP1B1 Q16678 1/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
GPR35 Q9HC97 2/20 0.34
LOXL2 Q9Y4K0 1/20 0.33

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
SCHEMBL10611288 0.84 HTR2A (0.52) HTR2AL3MBTL1ALDH1A1HSD17B10HPGD
SCHEMBL28248009 0.81 HTR2A (0.48) HTR2AL3MBTL1ALDH1A1HSD17B10HPGD
SCHEMBL1169916 0.79 HTR2A (0.60) HTR2AL3MBTL1ALDH1A1HSD17B10HPGD
SCHEMBL28499383 0.78 HTR2A (0.46) HTR2AL3MBTL1ALDH1A1HSD17B10HPGD
SCHEMBL8579502 0.76 ALDH1A1 (0.46) HTR2AL3MBTL1ALDH1A1HSD17B10HPGD
SCHEMBL29463710 0.74 ALDH1A1 (0.48) HTR2AL3MBTL1ALDH1A1HSD17B10HPGD
SCHEMBL677653 0.74 ALDH1A1 (0.48) HTR2AL3MBTL1ALDH1A1HSD17B10HPGD
SCHEMBL31281983 0.74 ALDH1A1 (0.48) HTR2AL3MBTL1ALDH1A1HSD17B10HPGD
SCHEMBL3744215 0.74 HTR2A (0.42) HTR2AL3MBTL1ALDH1A1HSD17B10HPGD
SCHEMBL3669260 0.74 ALDH1A1 (0.43) HTR2AL3MBTL1ALDH1A1HSD17B10HPGD

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-1377577-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES Sankyo Company Limited (JP) 2004-01-07 EP disclosed
WO-2002057264-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO COMPANY LIMITED (JP) 2002-07-25 WO disclosed