SCHEMBL9849422

SCHEMBL9849422

N#Cc1ccc(NCCCn2ccnc2)nc1-c1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 4/20 0.57
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 3/20 0.52
TSHR P16473 2/20 0.52
LMNA P02545 2/20 0.52
POLB P06746 2/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
CASP1 P29466 1/20 0.52
CLK1 P49759 1/20 0.52
CASP7 P55210 1/20 0.52
SCN9A Q15858 1/20 0.48
GAA P10253 3/20 0.48
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
NAMPT P43490 3/20 0.44
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
PGGT1B P53609 1/20 0.43

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
SCHEMBL9849543 0.88 ALDH1A1 (0.49) QPCTALDH1A1KDM4ETSHRLMNA
SCHEMBL9849532 0.79 KDM4E (0.54) QPCTALDH1A1KDM4ETSHRLMNA
SCHEMBL9849540 0.77 ALDH1A1 (0.58) ALDH1A1KDM4ETSHRLMNAPOLB
SCHEMBL9849628 0.71 KDM4E (0.56) QPCTALDH1A1KDM4ETSHRLMNA
SCHEMBL9849298 0.70 ALDH1A1 (0.72) QPCTALDH1A1KDM4ETSHRLMNA
SCHEMBL9849531 0.69 ALDH1A1 (0.67) ALDH1A1KDM4ETSHRLMNAPOLB
SCHEMBL2074328 0.69 QPCT (0.64) QPCTALDH1A1KDM4ETSHRLMNA
SCHEMBL6092843 0.68 SOD1 (0.54) QPCTALDH1A1KDM4ETSHRLMNA
SCHEMBL9849546 0.68 ALDH1A1 (0.58) QPCTALDH1A1KDM4ETSHRLMNA
SCHEMBL3631421 0.68 GSK3A (0.60) QPCTALDH1A1KDM4EPOLBHPGD

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-0446604-A2 Pyridine and related aza heterocycle derivatives as cardiovascular agents AMERICAN CYANAMID COMPANY (US) 1991-09-18 EP disclosed