SCHEMBL19848401

SCHEMBL19848401

CCC(C)Nc1cc(C(F)(F)F)ccc1N=N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ HTR2A P28223 2/20 0.37
▸ HTR2B P41595 2/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ PDE2A O00408 5/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL116320 0.78 MAPT (0.39) LMNAMAPTHTR2AHTR2BSIGMAR1
SCHEMBL14476938 0.77 KIF11 (0.39) MAPTPDE2AALDH1A1CYP3A4ALOX15
SCHEMBL356754 0.75 ALDH1A1 (0.49) LMNAMAPTHTR2AHTR2BSIGMAR1
SCHEMBL118610 0.72 HCAR3 (0.52) LMNAMAPTALDH1A1CYP3A4TDP1
SCHEMBL21991223 0.70 PTPN5 (0.40) LMNAMAPTHTR2AHTR2BSIGMAR1
SCHEMBL116464 0.69 MAPT (0.64) LMNAMAPTALDH1A1CYP3A4SMN1; SMN2
SCHEMBL19363736 0.69 TGM2 (0.48) LMNAMAPTALDH1A1CYP3A4CYP1A2
SCHEMBL19648588 0.68 IDO1 (0.33) MAPTTDP1L3MBTL1MEN1KMT2A
SCHEMBL19648929 0.68 IDO1 (0.33) MAPTTDP1L3MBTL1MEN1KMT2A
SCHEMBL18784087 0.68 CA12 (0.53) LMNAMAPTHTR2AHTR2BSIGMAR1

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-3279997-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY Asahi Kasei Kabushiki Kaisha (JP) 2018-02-07 — — EP disclosed
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