SCHEMBL3245331

SCHEMBL3245331

CCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(CCc4ccccc4)cc3c12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.45
GABRB2 P47870 5/20 0.45
GABRA3 P34903 2/20 0.45
GABRB1 P18505 1/20 0.45
DAO P14920 3/20 0.43
ALOX5 P09917 1/20 0.42
PPARG P37231 2/20 0.38
CSF1R P07333 1/20 0.38
PARP1 P09874 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TYMS P04818 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA2 P47869 1/20 0.36

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
SCHEMBL3254010 0.87 GABRA1 (0.39) GABRA1GABRB2GABRA3GABRB1PARP1
SCHEMBL3252380 0.86 CSF1R (0.43) GABRA1GABRB2GABRA3GABRB1CSF1R
SCHEMBL3263920 0.85 DAO (0.38) GABRA1GABRB2GABRA3GABRB1DAO
SCHEMBL3254675 0.84 ALDH1A1 (0.42) GABRA1GABRB2GABRA3GABRB1CSF1R
SCHEMBL3255978 0.84 FEN1 (0.39) GABRA1GABRB2GABRA3GABRB1DAO
SCHEMBL3251814 0.84 GABRA1 (0.56) GABRA1GABRB2GABRA3GABRB1DAO
SCHEMBL3251108 0.84 ALDH1A1 (0.43) MEN1KMT2A
SCHEMBL3249200 0.83 TUBB4A (0.41) GABRA1GABRB2GABRA3GABRB1CSF1R
SCHEMBL3245670 0.83 CSF1R (0.37) GABRA1GABRB2GABRA3GABRB1CSF1R
SCHEMBL3255154 0.83 IP6K1 (0.39) GABRA1GABRB2GABRA3GABRB1CSF1R

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
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP claimed