SCHEMBL11200702

SCHEMBL11200702

OCCNc1nc(N2CCNCC2)nc2sc3c(c12)CCC3

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
KDM4E B2RXH2 7/20 0.57
LMNA P02545 3/20 0.57
ALOX15 P16050 3/20 0.57
USP2 O75604 2/20 0.57
MAPT P10636 6/20 0.51
HTT P42858 5/20 0.51
GAA P10253 4/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 3/20 0.51
GLA P06280 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
PRKCZ Q05513 4/20 0.50
HTR2C P28335 1/20 0.47

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
SCHEMBL11198472 0.98 ALDH1A1 (0.60) ALDH1A1KDM4ELMNAALOX15USP2
SCHEMBL11201180 0.97 ALDH1A1 (0.59) ALDH1A1KDM4ELMNAALOX15USP2
Hydrochloric Acid SCHEMBL11200060 0.97 ALDH1A1 (0.59) ALDH1A1KDM4ELMNAALOX15USP2
SCHEMBL11207162 0.87 KDM4E (0.55) ALDH1A1KDM4ELMNAALOX15USP2
SCHEMBL11203562 0.85 ALDH1A1 (0.63) ALDH1A1KDM4ELMNAALOX15USP2
SCHEMBL11204214 0.84 KDM4E (0.53) ALDH1A1KDM4ELMNAALOX15USP2
SCHEMBL11197698 0.84 ALDH1A1 (0.55) ALDH1A1KDM4ELMNAALOX15USP2
SCHEMBL11200556 0.84 HTR2C (0.53) ALDH1A1KDM4EPRKCZHTR2CDRD2
Hydrochloric Acid SCHEMBL11203600 0.84 ALDH1A1 (0.62) ALDH1A1KDM4ELMNAALOX15USP2
SCHEMBL11206910 0.83 KDM4E (0.52) ALDH1A1KDM4ELMNAALOX15USP2

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