SCHEMBL20697496

SCHEMBL20697496

CCOc1ccc(NCNCCCn2cnc(C)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 16/20 0.64
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL3633585 0.78 QPCT (1.00) QPCTKMT2ASMN1; SMN2GAALMNA
SCHEMBL8179678 0.78 QPCT (0.77) QPCTKMT2ASMN1; SMN2GAALMNA
SCHEMBL11892032 0.73 QPCT (0.68) QPCTKMT2ASMN1; SMN2GAALMNA
SCHEMBL3635255 0.73 QPCT (0.68) QPCTKMT2ASMN1; SMN2GAALMNA
SCHEMBL13202855 0.71 QPCT (0.51) QPCT
SCHEMBL22753601 0.70 QPCT (0.46) QPCT
SCHEMBL30428818 0.69 CYP1A2 (0.51) QPCTKMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL22753645 0.69 QPCT (0.47) QPCT
SCHEMBL14464628 0.68 CHRM2 (0.53) QPCTKMT2A
SCHEMBL3628902 0.68 QPCT (1.00) QPCTKMT2ASMN1; SMN2LMNA

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
WO-2019022600-A1 TREATING PATHOLOGICAL CONDITIONS BY DIRECT AND INDIRECT TARGETING OF SIRPA - CD47 INTERACTION Stichting Het Nederlands Kanker Instituut-Antoni van Leeuwenhoek Ziekenhuis (NL) 2019-01-31 WO disclosed