SCHEMBL3629228

SCHEMBL3629228

NC(=O)c1c[nH]c2cc(C(F)(F)F)ccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.65
▸ MEN1 O00255 1/20 0.65
▸ CYP1A2 P05177 1/20 0.65
▸ HPGD P15428 1/20 0.65
▸ ALOX12 P18054 1/20 0.65
▸ KMT2A Q03164 1/20 0.65
▸ ATM Q13315 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.50
▸ KIF11 P52732 4/20 0.49
▸ DYRK1A Q13627 2/20 0.46
▸ GSK3B P49841 1/20 0.45
▸ HAT1 O14929 1/20 0.44
▸ EP300 Q09472 1/20 0.44
▸ IGF1R P08069 1/20 0.43
▸ MET P08581 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MAP2K4 P45985 1/20 0.43
▸ CA12 O43570 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
SCHEMBL29644277 0.87 ALDH1A1 (0.83) ALDH1A1MEN1CYP1A2HPGDALOX12
SCHEMBL10253551 0.87 ALDH1A1 (0.83) ALDH1A1MEN1CYP1A2HPGDALOX12
SCHEMBL2133676 0.84 MEN1 (0.65) ALDH1A1MEN1CYP1A2HPGDALOX12
SCHEMBL29644278 0.84 MEN1 (0.65) ALDH1A1MEN1CYP1A2HPGDALOX12
SCHEMBL16203495 0.84 ALDH1A1 (0.54) ALDH1A1MEN1CYP1A2HPGDALOX12
SCHEMBL1557638 0.83 MEN1 (0.68) ALDH1A1MEN1CYP1A2HPGDALOX12
SCHEMBL11773319 0.82 MEN1 (0.62) ALDH1A1MEN1CYP1A2HPGDALOX12
SCHEMBL3174159 0.81 ALDH1A1 (0.60) ALDH1A1MEN1CYP1A2HPGDALOX12
SCHEMBL9936837 0.81 NR4A2 (0.65) ALDH1A1MEN1CYP1A2HPGDALOX12
SCHEMBL2978109 0.79 CYP1A2 (1.00) ALDH1A1MEN1CYP1A2HPGDALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 — — EP claimed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 — — WO claimed
CN-116867768-A STING antagonists and uses thereof 上海齐鲁锐格医药研发有限公司 2023-10-10 — — CN disclosed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 — — EP disclosed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 — — WO disclosed
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