SCHEMBL3416441

SCHEMBL3416441

O=C(Cc1cccs1)Nc1cc[nH]n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 9/20 0.60
SMN1; SMN2 Q16637 6/20 0.60
GAPDH P04406 2/20 0.60
ESR2 Q92731 2/20 0.60
ESR1 P03372 2/20 0.60
STAT3 P40763 1/20 0.60
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
ALDH1A1 P00352 3/20 0.58
BLM P54132 3/20 0.58
HPGD P15428 2/20 0.58
ALOX15 P16050 2/20 0.58
HSD17B10 Q99714 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
MAPT P10636 1/20 0.58
APEX1 P27695 1/20 0.58
PTPN7 P35236 1/20 0.58
RECQL P46063 1/20 0.58
BCL2L1 Q07817 1/20 0.58
MCL1 Q07820 1/20 0.58

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
SCHEMBL3422853 0.86 POLB (0.45) POLBSMN1; SMN2GAPDHESR2ESR1
SCHEMBL3421596 0.77 L3MBTL1 (0.59) POLBSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3418702 0.76 CDK2 (0.57) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
SCHEMBL5867971 0.76 CDK2 (0.80) SMN1; SMN2
SCHEMBL3424793 0.75 NPC1 (0.56) SMN1; SMN2GAPDHMEN1KMT2AALDH1A1
SCHEMBL7160018 0.74 POLB (0.50) POLBSMN1; SMN2ESR2MEN1KMT2A
SCHEMBL18690997 0.74 KCNH3 (0.48) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
SCHEMBL22312337 0.74 CCNE1 (0.49)
SCHEMBL2117148 0.73 POLB (1.00) POLBSMN1; SMN2GAPDHESR2ESR1
SCHEMBL20503498 0.73 JAK2 (0.35) HSD17B10NPC1RAB9AGLS

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4555547-B2 2010-10-06 JP claimed
JP-2004505977-A 2004-02-26 JP claimed
EP-1320531-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-06-25 EP claimed
WO-2002012242-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2002-02-14 WO claimed
EP-1320531-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-06-25 EP disclosed
WO-2002012242-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2002-02-14 WO disclosed