SCHEMBL18048960

SCHEMBL18048960

NC(=O)c1nc(F)c(Cc2ccccc2)nc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G10 O15496 1/20 0.42
▸ PLA2G2A P14555 1/20 0.42
▸ PLAU P00749 3/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LTB4R Q15722 2/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ HPGD P15428 4/20 0.38
▸ HSD17B10 Q99714 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ MAP2K3 P46734 1/20 0.38
▸ IKBKB O14920 1/20 0.37
▸ LIMK1 P53667 1/20 0.37
▸ MAPT P10636 2/20 0.37

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
SCHEMBL18048956 0.82 PLA2G10 (0.42) PLA2G10PLA2G2APLAUMEN1KMT2A
SCHEMBL18049029 0.75 IKBKB (0.48) PLA2G10PLA2G2ALTB4RBRD4CYP1A2
SCHEMBL5739579 0.71 CALM1 (0.46) LTB4RCYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL3462235 0.71 PLA2G10 (0.50) PLA2G10PLA2G2AMEN1KMT2ALTB4R
SCHEMBL18147989 0.68 LTB4R (0.46) LTB4RCYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL30634304 0.68 PLA2G10 (0.50) PLA2G10PLA2G2AMEN1KMT2ABRD4
SCHEMBL4060963 0.68 ALDH1A1 (0.43) PLA2G10PLA2G2APLAULTB4RBRD4
SCHEMBL25237748 0.67 RNASEH1 (0.55) PLA2G10PLA2G2AMEN1KMT2ALTB4R
SCHEMBL4101721 0.67 ALDH1A1 (0.56) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL4060972 0.66 MPO (0.44) PLA2G10PLA2G2APLAUMEN1KMT2A

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
WO-2016144797-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 — — WO disclosed
WO-2016144792-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 — — WO disclosed
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