SCHEMBL27672978

SCHEMBL27672978

O=C(Nc1ccsc1)c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 6/20 0.71
EPAS1 Q99814 6/20 0.71
RAB9A P51151 7/20 0.70
NPC1 O15118 6/20 0.70
MAPK1 P28482 5/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
LMNA P02545 5/20 0.63
TP53 P04637 3/20 0.63
ALDH1A1 P00352 2/20 0.63
POLB P06746 1/20 0.63
TSHR P16473 2/20 0.61
MAPT P10636 1/20 0.61
STAT3 P40763 1/20 0.61
USP2 O75604 1/20 0.61
CACNA1B Q00975 1/20 0.61
APBA1 Q02410 1/20 0.61
SAE1 Q9UBE0 1/20 0.61
UBA2 Q9UBT2 1/20 0.61
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.59

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
SCHEMBL27672992 0.88 HDAC1 (0.61) HIF1AEPAS1RAB9ANPC1MAPK1
SCHEMBL27652919 0.88 HDAC6 (0.57) HIF1AEPAS1RAB9ANPC1MAPK1
SCHEMBL27672989 0.87 TNF (0.62) HIF1AEPAS1RAB9ANPC1MAPK1
SCHEMBL27652930 0.87 TNF (0.62) HIF1AEPAS1RAB9ANPC1MAPK1
SCHEMBL27673031 0.86 NPC1 (0.54) HIF1AEPAS1RAB9ANPC1MAPK1
SCHEMBL28759315 0.85 HDAC1 (0.53) HIF1AEPAS1RAB9ANPC1MAPK1
SCHEMBL27672993 0.84 RAB9A (0.66) HIF1AEPAS1RAB9ANPC1MAPK1
SCHEMBL21657710 0.83 HIF1A (1.00) HIF1AEPAS1RAB9ANPC1MAPK1
SCHEMBL8769811 0.83 RAB9A (0.83) HIF1AEPAS1RAB9ANPC1MAPK1
SCHEMBL21024443 0.82 RAB9A (1.00) HIF1AEPAS1RAB9ANPC1MAPK1

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
CN-1946395-A 1H-thieno [2, 3-c ] pyrazole derivatives useful as kinase inhibitors PHARMACIA ITALIA SPA (IT) 2007-04-11 CN claimed
CN-1946395-A 1H-thieno [2, 3-c ] pyrazole derivatives useful as kinase inhibitors PHARMACIA ITALIA SPA (IT) 2007-04-11 CN disclosed