SCHEMBL437502

SCHEMBL437502

Cc1cc(N)c2cc(Br)ccc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.59
ALDH1A1 P00352 2/20 0.57
CASP1 P29466 1/20 0.57
CASP7 P55210 1/20 0.57
HSD17B10 Q99714 1/20 0.57
GAA P10253 2/20 0.55
KDM4E B2RXH2 1/20 0.55
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
HTT P42858 1/20 0.50
NR4A2 P43354 1/20 0.50
MAPT P10636 1/20 0.48

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
SCHEMBL442241 0.85 NR4A2 (0.64) NCF1ALDH1A1CASP1CASP7HSD17B10
SCHEMBL438604 0.81 NCF1 (0.63) NCF1ALDH1A1CASP1CASP7HSD17B10
SCHEMBL3235863 0.81 NCF1 (0.63) NCF1ALDH1A1CASP1CASP7HSD17B10
SCHEMBL30048942 0.81 CYP1A2 (0.57) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL15724648 0.81 CYP1A2 (0.57) ALDH1A1GAAKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL30579056 0.79 NCF1 (0.61) NCF1ALDH1A1CASP1CASP7HSD17B10
SCHEMBL29923741 0.78 ALDH1A1 (0.55) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL439684 0.78 NCF1 (0.59) NCF1ALDH1A1CASP1CASP7HSD17B10
SCHEMBL440491 0.78 NR4A2 (0.74) NCF1ALDH1A1CASP1CASP7HSD17B10
SCHEMBL4966064 0.78 ALDH1A1 (0.55) ALDH1A1GAAKDM4EMEN1KMT2A

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 3 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-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