SCHEMBL8750759

SCHEMBL8750759

CN(C)c1cncc(C(=NC#N)NCCc2ccccc2Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
P2RX7 Q99572 9/20 0.39
HIF1A Q16665 2/20 0.37
SCN2A Q99250 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 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
SCHEMBL8750784 0.87 P2RX7 (0.39) P2RX7HIF1ASCN2ASCN10AROCK2
SCHEMBL8750783 0.86 P2RX7 (0.38) P2RX7HIF1ASCN2ASCN10ATAAR1
SCHEMBL8750839 0.86 P2RX7 (0.41) SMN1; SMN2P2RX7HIF1ASCN2ASCN10A
SCHEMBL8750824 0.85 HIF1A (0.40) KDM4EP2RX7HIF1ASCN2ASCN10A
SCHEMBL5044053 0.84 HIF1A (0.39) P2RX7HIF1ASCN2ASCN10ATAAR1
SCHEMBL5044056 0.84 HIF1A (0.39) P2RX7HIF1ASCN2ASCN10ATAAR1
SCHEMBL8750780 0.83 HIF1A (0.39) P2RX7HIF1ASCN2ASCN10ATAAR1
SCHEMBL8750762 0.83 HIF1A (0.46) P2RX7HIF1ASCN2ASCN10AROCK2
SCHEMBL8750766 0.83 P2RX7 (0.42) P2RX7HIF1ASCN2ASCN10AROCK2
SCHEMBL8750822 0.82 P2RX7 (0.37) P2RX7HIF1ASCN2ASCN10ATAAR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0634400-B1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BREWERY (JP) 1997-04-02 EP claimed
US-5508293-A TREATING HYPERTENSION, ANGINA PECTORIS KIRIN BEER KABUSHIKI KAISHA (JP) 1996-04-16 US claimed
EP-0634400-A1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BEER KABUSHIKI KAISHA (JP) 1995-01-18 EP claimed
EP-0634400-B1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BREWERY (JP) 1997-04-02 EP disclosed
US-5508293-A TREATING HYPERTENSION, ANGINA PECTORIS KIRIN BEER KABUSHIKI KAISHA (JP) 1996-04-16 US disclosed
EP-0634400-A1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BEER KABUSHIKI KAISHA (JP) 1995-01-18 EP disclosed