SCHEMBL21669400

SCHEMBL21669400

OC1Nc2ccccc2N1CCCl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.35
▸ ALOX12 P18054 4/20 0.35
▸ LMNA P02545 3/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MITF O75030 3/20 0.35
▸ TP53 P04637 3/20 0.35
▸ HTT P42858 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ USP2 O75604 1/20 0.35
▸ HBB P68871 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ MAPK1 P28482 4/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ ALOX15 P16050 3/20 0.33
▸ CASP1 P29466 3/20 0.33
▸ CASP7 P55210 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
SCHEMBL28770003 0.83 HTR2A (0.34) GAAALOX12LMNAMEN1MAPT
SCHEMBL18753027 0.72 PTPN1 (0.41) GAAALOX12MEN1MAPTKMT2A
SCHEMBL12502444 0.70 PTPN1 (0.38) GAAALOX12LMNAMEN1MAPT
SCHEMBL8395949 0.68 PTPN1 (0.37) GAAMAPTKDM4EALDH1A1BRD4
SCHEMBL27112146 0.68 ALDH1A1 (0.59) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL13807152 0.64 PTPN1 (0.38) GAAMEN1MAPTKMT2ABRD4
SCHEMBL20260086 0.64 PTPN1 (0.38) GAAALOX12LMNAMEN1MAPT
SCHEMBL25559769 0.63 ALDH1A1 (0.50) GAAALOX12LMNAMEN1MAPT
SCHEMBL7498201 0.63 LMNA (0.49) ALOX12LMNAMEN1MAPTKMT2A
SCHEMBL15430414 0.62 PTPN1 (0.41) GAAALOX12MEN1MAPTKMT2A

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-2020026162-A1 PROCESS FOR THE MULTISTEP CONTINUOUS-FLOW PREPARATION OF FLIBANSERIN RICHTER GEDEON NYRT. (HU) 2020-02-06 — — WO disclosed
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