SCHEMBL4241719

SCHEMBL4241719

C#Cc1ccccc1-c1cnc(NC(=O)OCCCC)n1C(=O)OC(C)(C)C.c1cc2cc-2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 5/20 0.35
RAB9A P51151 3/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
NR1H2 P55055 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CNR2 P34972 1/20 0.34
FGFR3 P22607 1/20 0.34
CYP1A2 P05177 3/20 0.33
CYP2C19 P33261 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
CYP2C9 P11712 1/20 0.33
SLC5A1 P13866 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA2 P47869 1/20 0.33

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
SCHEMBL4237158 0.94 NR1H2 (0.35) P2RY12RAB9AHPGDLMNANR1H2
SCHEMBL4233655 0.89 GABRA1 (0.38) NR1H2CNR2GABRA1GABRG2GABRB3
SCHEMBL4231079 0.85 ALDH1A1 (0.38) P2RY12RAB9AHPGDLMNANR1H2
SCHEMBL4060823 0.83 GRM5 (0.38) RAB9AHPGDLMNANR1H2KDM4E
SCHEMBL4235750 0.83 KDM4E (0.44) RAB9AHPGDLMNAKDM4EHSD17B10
SCHEMBL4062422 0.83 TTK (0.38) NR1H2GABRA1GABRG2GABRB3GABRA5
SCHEMBL4065419 0.83 ALDH1A1 (0.33) P2RY12RAB9AHPGDLMNANR1H2
SCHEMBL4239515 0.82 KDM4E (0.39) RAB9AHPGDLMNANR1H2KDM4E
SCHEMBL4241713 0.82 FGFR3 (0.38) P2RY12RAB9AHPGDLMNANR1H2
SCHEMBL4056602 0.80 FGFR3 (0.39) RAB9AHPGDLMNANR1H2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009123753-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-08 WO disclosed