SCHEMBL9712163

SCHEMBL9712163

CCN1c2ccccc2Sc2c(Br)cccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.46
▸ MAPT P10636 7/20 0.46
▸ HPGD P15428 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ KDM1A O60341 4/20 0.45
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ IDE P14735 1/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ PTGS1 P23219 3/20 0.42
▸ PTGS2 P35354 2/20 0.42
▸ CYP2D6 P10635 4/20 0.42
▸ ALOX15 P16050 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ SLC22A1 O15245 3/20 0.42
▸ CYP1A2 P05177 3/20 0.42
▸ CHRM2 P08172 3/20 0.42

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
SCHEMBL28242942 0.85 KDM1A (0.48) ALDH1A1MAPTHPGDHTTKDM1A
SCHEMBL28365729 0.82 PDF (0.54) ALDH1A1MAPTKDM1ANPSR1CYP2D6
SCHEMBL29557425 0.82 KDM1A (0.61) ALDH1A1MAPTHPGDHTTKDM1A
SCHEMBL293951 0.82 KDM1A (0.61) ALDH1A1MAPTHPGDHTTKDM1A
SCHEMBL7072232 0.79 MAOA (0.62) ALDH1A1MAPTHPGDKDM1AMEN1
SCHEMBL28053125 0.79 ALDH1A3 (0.37) ALDH1A1MAPTHPGDHTTMEN1
SCHEMBL179779 0.77 MAPT (0.50) ALDH1A1MAPTHPGDHTTMEN1
SCHEMBL30184237 0.77 MAPT (0.50) ALDH1A1MAPTHPGDHTTMEN1
SCHEMBL31436172 0.75 PIM1 (0.55) ALDH1A1MAPTHPGDHTTKDM1A
SCHEMBL627961 0.75 KDM1A (0.48) ALDH1A1MAPTHPGDHTTKDM1A

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-1992019622-A1 ARYLLITHIUM PROCESS FMC CORPORATION (US) 1992-11-12 — — WO disclosed
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