SCHEMBL11201436

SCHEMBL11201436

CCNc1nc(N2CCN(C(=O)OCC)CC2)nc2scc(C)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
KMT2A Q03164 6/20 0.45
ALDH1A1 P00352 6/20 0.45
MEN1 O00255 5/20 0.45
HPGD P15428 3/20 0.45
ATM Q13315 1/20 0.42
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TSHR P16473 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.41
ACACA Q13085 1/20 0.41
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CTNNB1 P35222 2/20 0.40

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
SCHEMBL11203994 0.90 ALDH1A1 (0.47) MAPTKMT2AALDH1A1MEN1HPGD
SCHEMBL11203292 0.82 KMT2A (0.38) MAPTKMT2AALDH1A1MEN1HPGD
SCHEMBL11200451 0.81 LMNA (0.38) MAPTALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL11198016 0.80 PRKCI (0.43) LMNASMN1; SMN2
SCHEMBL13780234 0.79 ENPP2 (0.38) MAPTKMT2AALDH1A1MEN1LMNA
Hydrochloric Acid SCHEMBL11204595 0.79 PRKCI (0.43) LMNASMN1; SMN2
SCHEMBL11203861 0.79 P2RX3 (0.41) MAPTKMT2AALDH1A1MEN1HPGD
SCHEMBL11205242 0.78 MAPT (0.45) MAPTKMT2AALDH1A1MEN1HPGD
SCHEMBL11200422 0.74 KDM4E (0.41) MAPTKMT2AALDH1A1MEN1HPGD
SCHEMBL11197619 0.74 KDM4E (0.35) MAPTALDH1A1LMNASMN1; SMN2MAPK1

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