SCHEMBL4095775

SCHEMBL4095775

c1ccc(-c2ncccc2-c2cnn[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.43
PTGS1 P23219 1/20 0.43
FEN1 P39748 1/20 0.39
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TGFBR1 P36897 1/20 0.36
PTPRC P08575 2/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
PTPN13 Q12923 1/20 0.36
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
TDP2 O95551 1/20 0.35
NSD2 O96028 1/20 0.35
ABL1 P00519 1/20 0.35
PLCG1 P19174 1/20 0.35
CES1 P23141 1/20 0.35
PAX8 Q06710 1/20 0.35

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
SCHEMBL8780980 0.79 METAP2 (0.42) ALDH1A1HSD17B10TGFBR1PIM1SCN4A
SCHEMBL15288191 0.76 PLK4 (0.36) ALDH1A1PIM1PIM3MEN1KMT2A
SCHEMBL21692150 0.76 PTGS1 (0.58) PTGS2PTGS1FEN1ALDH1A1HTT
SCHEMBL10018 0.74 SCN4A (0.46) ALDH1A1HPGDSSCN4ANPY5R
SCHEMBL12854120 0.74 PTPRC (0.57) PTGS2PTGS1FEN1ALDH1A1HTT
SCHEMBL37278 0.74 PTGS2 (0.66) PTGS2PTGS1FEN1ALDH1A1HTT
Ammonia Solution, Strong SCHEMBL20599554 0.73 PTGS2 (0.64) PTGS2PTGS1FEN1ALDH1A1HTT
SCHEMBL30021842 0.73 PTGS2 (0.64) PTGS2PTGS1FEN1ALDH1A1HTT
Phosphine SCHEMBL29108837 0.73 PTGS2 (0.64) PTGS2PTGS1FEN1ALDH1A1HTT
SCHEMBL29227428 0.73 PTGS2 (0.64) PTGS2PTGS1FEN1ALDH1A1HTT

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-2059250-A2 COMPOUNDS FOR THE TREATMENT OF ANGIOGENESIS Synta Pharmaceuticals Corporation (US) 2009-05-20 EP disclosed
WO-2008033449-A2 COMPOUNDS FOR THE TREATMENT OF ANGIOGENESIS SYNTA PHARMACEUTICALS CORP. (US) 2008-03-20 WO disclosed