SCHEMBL439684

SCHEMBL439684

Cc1cc(N)c2cc(F)ccc2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.59
ALDH1A1 P00352 1/20 0.57
CASP1 P29466 1/20 0.57
CASP7 P55210 1/20 0.57
HSD17B10 Q99714 1/20 0.57
GNG2 P59768 2/20 0.54
GNB1 P62873 2/20 0.54
MEN1 O00255 1/20 0.54
MMP1 P03956 1/20 0.54
MMP9 P14780 1/20 0.54
ALOX15 P16050 1/20 0.54
BLM P54132 1/20 0.54
KMT2A Q03164 1/20 0.54
TERT O14746 4/20 0.53
DOT1L Q8TEK3 3/20 0.51
NR4A2 P43354 1/20 0.50
MPO P05164 1/20 0.46
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
GRIN1 Q05586 2/20 0.44

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
SCHEMBL27890180 0.86 ALDH1A1 (0.62) NCF1ALDH1A1CASP1CASP7HSD17B10
SCHEMBL442339 0.85 NR4A2 (0.64) NCF1ALDH1A1CASP1CASP7HSD17B10
SCHEMBL30682591 0.85 NR4A2 (0.64) NCF1ALDH1A1CASP1CASP7HSD17B10
SCHEMBL3235863 0.81 NCF1 (0.63) NCF1ALDH1A1CASP1CASP7HSD17B10
SCHEMBL438604 0.81 NCF1 (0.63) NCF1ALDH1A1CASP1CASP7HSD17B10
SCHEMBL6490334 0.81 CYP1A2 (0.57) ALDH1A1HSD17B10MPOBCHEACHE
SCHEMBL29588228 0.81 CYP1A2 (0.57) ALDH1A1HSD17B10MPOBCHEACHE
Hydrochloric Acid SCHEMBL30579056 0.79 NCF1 (0.61) NCF1ALDH1A1CASP1CASP7HSD17B10
SCHEMBL440491 0.78 NR4A2 (0.74) NCF1ALDH1A1CASP1CASP7HSD17B10
SCHEMBL4250865 0.78 LMNA (0.68) ALDH1A1HSD17B10KMT2AMPOBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113454167-B Coloring composition, compound, color filter and display device 住友化学株式会社 2023-08-15 CN disclosed
CN-114057688-A Compound and coloring composition 住友化学株式会社 2022-02-18 CN disclosed
CN-113454167-A Coloring composition, compound, color filter and display device 住友化学株式会社 2021-09-28 CN disclosed
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed
EP-1150977-B1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP disclosed
US-6699879-B1 OBESITY, DIABETES, SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-02 US disclosed