SCHEMBL11206009

SCHEMBL11206009

CCc1cc2c(NC)nc(Cl)nc2s1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SELE P16581 3/20 0.46
VCAM1 P19320 3/20 0.46
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
PRKCI P41743 3/20 0.41
ICAM1 P05362 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TMIGD3 P0DMS9 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL11201183 0.86 KDM4E (0.49) SELEVCAM1KDM4EALDH1A1L3MBTL1
SCHEMBL11200152 0.84 ALDH1A1 (0.45) SELEVCAM1KDM4EALDH1A1L3MBTL1
SCHEMBL11197736 0.81 KDM4E (0.64) SELEVCAM1KDM4EALDH1A1L3MBTL1
SCHEMBL1970286 0.80 SELE (0.60) SELEVCAM1KDM4EALDH1A1L3MBTL1
SCHEMBL11204708 0.79 PDE2A (0.41) KDM4EALDH1A1MEN1KMT2A
SCHEMBL5114669 0.78 ICAM1 (0.66) SELEVCAM1KDM4EALDH1A1HSD17B10
SCHEMBL11205856 0.78 MEN1 (0.53) SELEVCAM1KDM4EALDH1A1L3MBTL1
SCHEMBL11200109 0.78 SELE (0.49) SELEVCAM1ALDH1A1CYP1A2CYP2C9
SCHEMBL11207331 0.77 ALDH1A1 (0.56) KDM4EALDH1A1L3MBTL1HSD17B10CYP1A2
SCHEMBL5118432 0.76 ICAM1 (0.48) SELEVCAM1KDM4EALDH1A1L3MBTL1

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-0082023-A2 Thienopyrimidine derivatives, their preparation and their medical use SANKYO COMPANY LIMITED (JP) 1983-06-22 EP disclosed