SCHEMBL11207331

SCHEMBL11207331

CCc1cc2c(NCCNC(C)=O)nc(Cl)nc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
KDM4E B2RXH2 5/20 0.56
HSD17B10 Q99714 2/20 0.56
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 4/20 0.46
CYP2C9 P11712 2/20 0.46
TSHR P16473 2/20 0.46
PRKCI P41743 3/20 0.45
GLP1R P43220 1/20 0.43
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C19 P33261 1/20 0.42
HRH4 Q9H3N8 1/20 0.41
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL11197736 0.85 KDM4E (0.64) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL11201183 0.82 KDM4E (0.49) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL11205856 0.79 MEN1 (0.53) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL11206009 0.77 SELE (0.46) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL11198709 0.77 HRH4 (0.48) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL5114669 0.74 ICAM1 (0.66) ALDH1A1KDM4EHSD17B10MEN1CYP1A2
SCHEMBL11200152 0.74 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL5119424 0.72 ICAM1 (0.51) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL5118432 0.72 ICAM1 (0.48) ALDH1A1KDM4EHSD17B10CYP1A2CYP2C9
SCHEMBL10836929 0.72 CYP1A2 (0.70) ALDH1A1KDM4EHSD17B10MEN1KMT2A

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