SCHEMBL16634608

SCHEMBL16634608

O=C(O)c1ccc(-n2c(=O)[nH]c3cccnc32)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.47
CYP2C9 P11712 2/20 0.47
DAO P14920 1/20 0.47
AURKA O14965 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42
GABRA6 Q16445 1/20 0.42
GABRG1 Q8N1C3 1/20 0.42

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
SCHEMBL30615469 0.81 DAO (0.54) DAOKDM4ESMN1; SMN2GABRPGABRD
SCHEMBL11552996 0.81 DAO (0.54) DAOKDM4ESMN1; SMN2GABRPGABRD
SCHEMBL16634626 0.80 HSP90AA1 (0.54) RORCCYP2C9DAOAURKAKDM4E
SCHEMBL527340 0.80 DAO (0.54) RORCDAOAURKAKDM4ESMN1; SMN2
SCHEMBL16634734 0.79 DAO (0.50) RORCCYP2C9DAOAURKAKDM4E
SCHEMBL11552583 0.79 DAO (0.49) DAOKDM4EGABRPGABRDGABRA1
SCHEMBL16634724 0.76 TGFBR1 (0.47) RORCDAOAURKAKDM4ESMN1; SMN2
SCHEMBL30615655 0.74 DAO (0.47) DAOKDM4EGABRPGABRDGABRA1
SCHEMBL30615525 0.74 PKM (0.45) DAOKDM4EGABRPGABRDGABRA1
SCHEMBL30615622 0.72 DAO (0.54) DAOSMN1; SMN2GABRPGABRDGABRA1

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-2015052675-A1 SUBSTITUTED DIHYDRO-BENZIMIDAZOLE COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-16 WO disclosed