SCHEMBL21991223

SCHEMBL21991223

CCNc1ccc(C(F)(F)F)cc1N=N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN5 P54829 1/20 0.40
▸ STAT3 P40763 1/20 0.39
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MAPT P10636 4/20 0.34
▸ LMNA P02545 3/20 0.34
▸ GAA P10253 2/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ LIPC P11150 1/20 0.34
▸ LIPG Q9Y5X9 1/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 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
SCHEMBL14015041 0.78 VDR (0.45) PTPN5STAT3CYP1A2CYP2C9CYP2C19
SCHEMBL19848397 0.76 CYP1A2 (0.39) CYP1A2CYP2C9CYP2C19MAPTLMNA
SCHEMBL356011 0.75 ALDH1A1 (0.54) PTPN5STAT3CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL27809228 0.73 STAT3 (0.43) PTPN5STAT3CYP1A2CYP2C9CYP2C19
SCHEMBL12894743 0.72 PTPN5 (0.41) PTPN5STAT3CYP1A2CYP2C9CYP2C19
SCHEMBL112521 0.71 LMNA (0.56) PTPN5STAT3CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL27668311 0.71 PTPN5 (0.46) PTPN5CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL14476938 0.71 KIF11 (0.39) CYP1A2CYP2C9CYP2C19MAPTGAA
SCHEMBL3894930 0.70 LIPC (0.66) STAT3CYP2C19MAPTGAALIPC
SCHEMBL19848401 0.70 LMNA (0.37) CYP1A2CYP2C9CYP2C19MAPTLMNA

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
EP-3467930-B1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY ASAHI CHEMICAL IND (JP) 2020-05-13 — — EP disclosed
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