SCHEMBL11201344

SCHEMBL11201344

O=CN1CCN(c2nc(N(CCO)CCO)c3c4c(sc3n2)CCC4)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.39
TSHR P16473 3/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HIF1A Q16665 1/20 0.36
ELANE P08246 1/20 0.36
POLB P06746 3/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ACACA Q13085 1/20 0.36
GAA P10253 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
SCHEMBL11202515 0.98 MEN1 (0.38) PARP1TSHRALDH1A1KDM4ELMNA
SCHEMBL11200250 0.97 ALDH1A1 (0.37) PARP1ALDH1A1KDM4ELMNANPSR1
SCHEMBL11199660 0.84 MEN1 (0.51) ALDH1A1KDM4ELMNANPSR1HIF1A
SCHEMBL11204173 0.84 HTR2C (0.47) PARP1ALDH1A1KDM4ELMNANPSR1
SCHEMBL11199808 0.82 HTR2C (0.50) PARP1ALDH1A1KDM4ELMNANPSR1
SCHEMBL11201354 0.81 HTR2C (0.49) PARP1ALDH1A1KDM4ELMNANPSR1
SCHEMBL11197698 0.80 ALDH1A1 (0.55) TSHRALDH1A1KDM4ELMNANPSR1
SCHEMBL11203278 0.80 KDM4E (0.30) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL11203177 0.78 RAB9A (0.45) TSHRALDH1A1KDM4ELMNAPOLB
SCHEMBL11207726 0.78 HPGD (0.31) ALDH1A1KDM4ENPSR1HTTMAPT

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