SCHEMBL2291292

SCHEMBL2291292

O=C(NCc1nc(-c2ccccc2)cs1)c1ccc2cccnc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.55
ROCK2 O75116 1/20 0.54
GRK2 P25098 1/20 0.54
LMNA P02545 3/20 0.53
MAPK1 P28482 2/20 0.53
MAPT P10636 2/20 0.53
NAMPT P43490 1/20 0.51
TRPV1 Q8NER1 1/20 0.50
HDAC6 Q9UBN7 3/20 0.47
HDAC3 O15379 3/20 0.47
HDAC8 Q9BY41 2/20 0.47
POLB P06746 2/20 0.46
SUCNR1 Q9BXA5 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
PLAU P00749 1/20 0.45
HDAC1 Q13547 2/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL15327068 0.83 KDM4E (0.47) EGLN1ROCK2GRK2LMNAMAPK1
SCHEMBL2227256 0.81 MAPT (0.67) ROCK2GRK2LMNAMAPK1MAPT
SCHEMBL2202613 0.79 EGLN1 (0.65) EGLN1ROCK2GRK2LMNAMAPK1
SCHEMBL18215350 0.72 MAPK1 (0.56) LMNAMAPK1MAPTHDAC6HDAC3
SCHEMBL16435281 0.72 ROCK2 (0.54) ROCK2GRK2LMNAMAPK1MAPT
SCHEMBL3362629 0.72 HDAC6 (0.65) EGLN1HDAC6HDAC3HDAC8HDAC1
SCHEMBL12361022 0.71 MMP13 (0.59) EGLN1ROCK2LMNAMAPK1NAMPT
SCHEMBL22753445 0.70 MAPK1 (0.57) LMNAMAPK1MAPTHDAC6HDAC3
SCHEMBL17941874 0.70 EGLN1 (0.62) EGLN1HDAC6HDAC3HDAC1KDM4E
SCHEMBL2283028 0.70 HDAC6 (0.66) ROCK2GRK2LMNAMAPK1MAPT

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-2519504-A1 NEW SECONDARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES. Polichem SA (LU) 2012-11-07 EP claimed
WO-2011080266-A1 NEW SECONDARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES. POLICHEM S.A. (LU) 2011-07-07 WO claimed