SCHEMBL9849396

SCHEMBL9849396

CC(=O)c1cc(C#N)c(NCCCn2ccnc2)nc1C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.66
ALDH1A1 P00352 8/20 0.62
PKM P14618 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
KDM4E B2RXH2 6/20 0.62
HPGD P15428 4/20 0.62
CASP1 P29466 2/20 0.62
CASP7 P55210 2/20 0.62
HSD17B10 Q99714 2/20 0.62
LMNA P02545 2/20 0.62
TSHR P16473 1/20 0.62
CLK1 P49759 1/20 0.62
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 3/20 0.45
GLA P06280 1/20 0.45
SOD1 P00441 2/20 0.45
MAPT P10636 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NPC1 O15118 1/20 0.44

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
SCHEMBL9849531 0.77 ALDH1A1 (0.67) POLBALDH1A1PKMSMN1; SMN2KDM4E
SCHEMBL9849419 0.75 ALDH1A1 (0.61) POLBALDH1A1PKMSMN1; SMN2KDM4E
SCHEMBL9849298 0.74 ALDH1A1 (0.72) POLBALDH1A1PKMSMN1; SMN2KDM4E
SCHEMBL9849540 0.73 ALDH1A1 (0.58) POLBALDH1A1PKMSMN1; SMN2KDM4E
SCHEMBL9489057 0.71 SMN1; SMN2 (0.78) POLBALDH1A1PKMSMN1; SMN2KDM4E
SCHEMBL9849546 0.70 ALDH1A1 (0.58) POLBALDH1A1PKMSMN1; SMN2KDM4E
SCHEMBL9849551 0.70 ALDH1A1 (0.60) POLBALDH1A1PKMSMN1; SMN2KDM4E
SCHEMBL1641286 0.66 SMN1; SMN2 (0.69) POLBALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL49130 0.65 L3MBTL1 (0.66) POLBALDH1A1SMN1; SMN2HSD17B10L3MBTL1
SCHEMBL11485517 0.64 POLB (0.70) POLBALDH1A1PKMSMN1; SMN2KDM4E

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