SCHEMBL4598872

SCHEMBL4598872

C=CCNc1[c]cccc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MITF O75030 1/20 0.32
NSD2 O96028 1/20 0.32
LMNA P02545 1/20 0.32
CASP3 P42574 1/20 0.32
HTT P42858 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
CA12 O43570 1/20 0.32

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
SCHEMBL11655942 0.79 ALDH1A1 (0.33) RAB9AHPGDALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4600275 0.76 TRPA1 (0.33) ALDH1A1GAA
SCHEMBL7447378 0.73 TRPA1 (0.36) SMN1; SMN2KMT2AMEN1
SCHEMBL6634986 0.72 TAAR1 (0.40) HPGDALDH1A1KMT2AMEN1GAA
SCHEMBL4598888 0.71 POLB (0.39) L3MBTL1SMN1; SMN2KMT2AGAAMAPT
SCHEMBL6642136 0.70 CHEK1 (0.39) KMT2AMEN1KDM4ELMNAHTT
SCHEMBL6639584 0.70 NPC1 (0.40) RAB9AL3MBTL1NPC1KMT2AKDM4E
SCHEMBL9353795 0.69 SMN1; SMN2 (0.50) RAB9AHPGDALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4600157 0.69
SCHEMBL16958438 0.69

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP claimed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO claimed
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP disclosed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO disclosed