SCHEMBL18900665

SCHEMBL18900665

O=C(c1cc2ccccc2[nH]1)C1CCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.59
PDGFRB P09619 3/20 0.59
PDGFRA P16234 3/20 0.59
KDM4E B2RXH2 3/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 2/20 0.57
MAPT P10636 1/20 0.57
DAO P14920 1/20 0.57
SRD5A2 P31213 1/20 0.57
MAOB P27338 1/20 0.52
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
FAAH O00519 1/20 0.50
HRH4 Q9H3N8 2/20 0.49
HRH3 Q9Y5N1 2/20 0.49
IDO1 P14902 1/20 0.49
NPC1 O15118 1/20 0.49

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
SCHEMBL7030607 0.95 FLT3 (0.57) FLT3PDGFRBPDGFRAKDM4EHPGD
SCHEMBL7024844 0.93 FLT3 (0.62) FLT3PDGFRBPDGFRAKDM4EHPGD
SCHEMBL24588742 0.79 HRH4 (0.52) KDM4EHPGDHSD17B10MAPTDAO
SCHEMBL27743091 0.78 FLT3 (0.51) FLT3PDGFRBPDGFRAKDM4EHPGD
SCHEMBL75198 0.77 MLLT1 (0.65) FLT3KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL5514494 0.77 PDGFRB (0.65) FLT3PDGFRBPDGFRAKDM4EHPGD
Indole-2-Carboxylic Acid SCHEMBL28171743 0.76 KDM4E (0.89) FLT3PDGFRBPDGFRAKDM4EHPGD
SCHEMBL6170688 0.76 HRH4 (0.57) FLT3PDGFRBDAOALDH1A1HRH4
SCHEMBL24588682 0.76 KCNH2 (0.60) KDM4EHSD17B10ALDH1A1HRH4HRH3
SCHEMBL29446300 0.75 PTPN2 (0.72) FLT3PDGFRBPDGFRAKDM4EHPGD

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-2948454-B1 TRIAZINE COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENT & IND RES AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGISTRATION OF SOCIETI (IN) 2017-05-31 EP disclosed