SCHEMBL3667271

SCHEMBL3667271

Cc1cn(C(N)=O)c2ccc(F)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICMT O60725 2/20 0.42
SCN9A Q15858 4/20 0.40
SCN2B O60939 3/20 0.40
SCN1B Q07699 3/20 0.40
SCN5A Q14524 3/20 0.40
SCN1A P35498 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
HPGDS O60760 1/20 0.37
HTR6 P50406 2/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTGDR2 Q9Y5Y4 4/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
AR P10275 1/20 0.35

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
SCHEMBL16917862 0.78 ICMT (0.38) ICMTSCN9AKDM4EALDH1A1AKR1C3
SCHEMBL2115428 0.78 HTR6 (0.46) SCN9ASCN2BSCN1BSCN5ASCN1A
SCHEMBL13837715 0.78 ICMT (0.36) ICMTSCN9AKDM4EALDH1A1AKR1C3
SCHEMBL3720565 0.77 AR (0.41) ICMTAR
SCHEMBL8530590 0.76 TFPI2 (0.49) KDM4EALDH1A1HTR6MAPT
SCHEMBL12479971 0.76 AKR1C3 (0.65) ICMTAKR1C3AKR1C2HTR6PTGDR2
SCHEMBL12480731 0.76 L3MBTL1 (0.49) ICMTALDH1A1AKR1C3AKR1C2HPGD
SCHEMBL3222225 0.75 KDM4E (0.42) ICMTSCN9ASCN2BSCN1BSCN5A
Hydrochloric Acid SCHEMBL3221823 0.74 KDM4E (0.41) ICMTSCN9ASCN2BSCN1BSCN5A
SCHEMBL13967309 0.73 ICMT (0.37) ICMTSCN9AKDM4EALDH1A1AKR1C3

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
CN-102316868-A METHOD FOR TREATING MACULAR DEGENERATION SANOFI AVENTIS 2012-01-11 CN claimed
CN-102316868-A METHOD FOR TREATING MACULAR DEGENERATION SANOFI AVENTIS 2012-01-11 CN disclosed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP disclosed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 WO disclosed