SCHEMBL14041378

SCHEMBL14041378

Cc1nc(-c2cccc(F)c2)ncc1C(=O)Nn1ccc2cc(NO)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 6/20 0.51
▸ DGAT1 O75907 1/20 0.39
▸ MAOB P27338 1/20 0.37
▸ CSNK1D P48730 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ WNT3A P56704 1/20 0.35
▸ POLQ O75417 1/20 0.34
▸ GRM4 Q14833 1/20 0.34
▸ NPC1 O15118 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
SCHEMBL3217764 0.92 HPGDS (0.54) HPGDSDGAT1CSNK1DMEN1KMT2A
SCHEMBL12083978 0.90 HPGDS (0.49) HPGDSDGAT1MAOBMEN1KMT2A
SCHEMBL12083923 0.88 HPGDS (0.54) HPGDSDGAT1CSNK1D
SCHEMBL3810374 0.88 HPGDS (0.51) HPGDSDGAT1CSNK1DIDO1POLQ
SCHEMBL12083909 0.88 HPGDS (0.51) HPGDSDGAT1CSNK1DPOLQMAP4K4
SCHEMBL2471757 0.88 HPGDS (0.54) HPGDSDGAT1CSNK1DMEN1KMT2A
SCHEMBL12083724 0.86 HPGDS (0.50) HPGDSCSNK1DLMNAMAPTPOLQ
SCHEMBL12084048 0.86 HPGDS (0.49) HPGDSDGAT1CSNK1DMAP4K4
SCHEMBL12084161 0.85 HPGDS (0.49) HPGDSCSNK1DMEN1KMT2ALMNA
SCHEMBL3717427 0.84 HPGDS (0.51) HPGDSDGAT1CSNK1DPOLQMAP4K4

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-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 — — WO disclosed
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