SCHEMBL5269602

SCHEMBL5269602

Cc1ccc(-c2nc3ccc(Sc4ccccc4)nn3c2CNC(=O)OC(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
RXFP1 Q9HBX9 3/20 0.37
HSD17B10 Q99714 3/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 2/20 0.37
POLB P06746 2/20 0.37
ALOX15 P16050 1/20 0.37
MCL1 Q07820 1/20 0.37
TGFBR1 P36897 1/20 0.36
NOTUM Q6P988 3/20 0.36
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
PKM P14618 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL5272192 0.91 KDM4E (0.41) KDM4EALDH1A1RXFP1HSD17B10HPGD
SCHEMBL5269397 0.90 KDM4E (0.36) KDM4EALDH1A1RXFP1HSD17B10HPGD
SCHEMBL5273186 0.89 NPC1 (0.42) KDM4EALDH1A1RXFP1HSD17B10HPGD
SCHEMBL5271977 0.88 FAAH (0.40) KDM4EALDH1A1RXFP1HSD17B10HPGD
SCHEMBL5271030 0.88 FAAH (0.38) KDM4EALDH1A1RXFP1HSD17B10HPGD
SCHEMBL5269620 0.87 KDM4E (0.38) KDM4EALDH1A1RXFP1HSD17B10HPGD
SCHEMBL5267665 0.87 MAPK1 (0.39) NPC1RAB9ATP53MAPK1
SCHEMBL5269079 0.86 KDM4E (0.38) KDM4EALDH1A1RXFP1HSD17B10HPGD
SCHEMBL5269494 0.85 NR1H4 (0.41) KDM4EALDH1A1HSD17B10ALOX15KMT2A
SCHEMBL5274086 0.84 AKT1 (0.39) KDM4EALDH1A1HSD17B10HPGDPOLB

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-1845098-A1 Imidazo[1,2-b]pyridazines, their processes of preparation and their use as GABA receptor ligands FERRER INTERNACIONAL, S.A. (ES) 2007-10-17 EP claimed
EP-1845098-A1 Imidazo[1,2-b]pyridazines, their processes of preparation and their use as GABA receptor ligands FERRER INTERNACIONAL, S.A. (ES) 2007-10-17 EP disclosed