SCHEMBL11201865

SCHEMBL11201865

CCc1c(C)sc2nc(N3CCNCC3)nc(NCCO)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
ALOX15 P16050 3/20 0.39
USP2 O75604 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 2/20 0.37
SYK P43405 2/20 0.36
KHK P50053 2/20 0.36
PRKCI P41743 2/20 0.35
HTR3A P46098 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
GLA P06280 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GBA1 P04062 1/20 0.32
HRH1 P35367 1/20 0.32
P2RY12 Q9H244 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
SCHEMBL11202792 0.86 KHK (0.38) ALDH1A1KDM4EUSP2KHKPRKCI
SCHEMBL11205170 0.86 ALDH1A1 (0.42) ALDH1A1KDM4EALOX15USP2LMNA
SCHEMBL11201922 0.84 KDM4E (0.38) ALDH1A1KDM4EALOX15USP2LMNA
SCHEMBL11201335 0.84 KDM4E (0.39) ALDH1A1KDM4EALOX15USP2LMNA
Hydrochloric Acid SCHEMBL11200063 0.83 TLR8 (0.38) ALDH1A1KDM4EALOX15USP2LMNA
SCHEMBL11205682 0.82 KDM4E (0.37) ALDH1A1KDM4EUSP2SYKPRKCI
Fumaric Acid SCHEMBL11207423 0.80 P2RY12 (0.35) ALDH1A1KDM4EKHKMAPTHPGD
Maleic Acid SCHEMBL11207421 0.80 P2RY12 (0.35) ALDH1A1KDM4EKHKMAPTHPGD
SCHEMBL11204097 0.78 HTR2A (0.32) ALDH1A1KDM4EUSP2LMNAKHK
SCHEMBL11200579 0.78 SYK (0.40) ALDH1A1KDM4EALOX15USP2LMNA

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