SCHEMBL11200422

SCHEMBL11200422

CCN1CCN(c2nc(NCCO)c3c(C)csc3n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALOX15 P16050 3/20 0.41
SYK P43405 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
USP2 O75604 2/20 0.40
HTR3A P46098 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
ESR1 P03372 1/20 0.37
GLA P06280 2/20 0.37
GBA1 P04062 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR2A P28223 1/20 0.36
KMT5A Q9NQR1 1/20 0.35
RAD52 P43351 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
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
SCHEMBL11197538 0.85 PRKCI (0.41) KDM4EALOX15SYKALDH1A1LMNA
SCHEMBL11204009 0.85 KDM4E (0.39) KDM4EALOX15ALDH1A1LMNAUSP2
SCHEMBL11203861 0.85 P2RX3 (0.41) KDM4EALOX15SYKALDH1A1LMNA
SCHEMBL11204549 0.76 KHK (0.46) ALDH1A1HRH4ESR1KMT5A
SCHEMBL11197619 0.75 KDM4E (0.35) KDM4EALDH1A1LMNAHRH4ESR1
SCHEMBL11203658 0.75 KDM4E (0.37) KDM4EALOX15SYKALDH1A1LMNA
SCHEMBL11203994 0.75 ALDH1A1 (0.47) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL11201921 0.75 KHK (0.40) ESR1KMT5A
SCHEMBL11200579 0.75 SYK (0.40) KDM4EALOX15SYKALDH1A1LMNA
Hydrochloric Acid SCHEMBL11207765 0.75 KHK (0.46) ALDH1A1HRH4ESR1KMT5A

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