SCHEMBL21186243

SCHEMBL21186243

Nc1nc2c(Br)cc(Cc3ccc(F)cc3Cl)cc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 3/20 0.40
AXL P30530 1/20 0.40
GFER P55789 1/20 0.40
LMNA P02545 2/20 0.37
PDE10A Q9Y233 1/20 0.37
GRM2 Q14416 1/20 0.37
NSD1 Q96L73 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
DRD2 P14416 1/20 0.34
KCNH2 Q12809 1/20 0.34
KDR P35968 2/20 0.33
COPS5 Q92905 1/20 0.33

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
SCHEMBL2912621 0.82 RAB9A (0.45) HSD17B10ALDH1A1AXLGFERLMNA
SCHEMBL21179449 0.79 AXL (0.60) ALOX15CRHBPCRHR2HSD17B10ALDH1A1
SCHEMBL16049076 0.71 ALDH1A1 (0.53) HSD17B10ALDH1A1AXLGFERLMNA
SCHEMBL2920238 0.70 NSD1 (0.50) HSD17B10ALDH1A1LMNAPDE10ANSD1
SCHEMBL8309525 0.68 ALDH1A1 (0.68) ALOX15HSD17B10ALDH1A1AXLGFER
SCHEMBL11697325 0.68 ALDH1A1 (0.68) HSD17B10ALDH1A1LMNAPDE10ANSD1
SCHEMBL2921072 0.68 ALDH1A1 (0.48) ALDH1A1LMNANSD1SMN1; SMN2RAB9A
SCHEMBL21186285 0.67 CYP3A4 (0.45) ALOX15CRHBPCRHR2HSD17B10ALDH1A1
SCHEMBL15522380 0.66 HSD17B10 (0.49) ALOX15CRHBPCRHR2HSD17B10ALDH1A1
SCHEMBL2202151 0.66 HSD17B10 (0.49) ALOX15CRHBPCRHR2HSD17B10ALDH1A1

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-2019141980-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 WO disclosed