SCHEMBL8750825

SCHEMBL8750825

N#CN=C(NCCc1ccccc1Cl)c1cncc(CC(N)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.41
HIF1A Q16665 2/20 0.40
SCN2A Q99250 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
PLAAT3 P53816 2/20 0.38
PLAAT5 Q96KN8 2/20 0.38
PLAAT2 Q9NWW9 2/20 0.38
PLAAT4 Q9UL19 2/20 0.38
KMT2A Q03164 1/20 0.37
CNR1 P21554 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ROCK2 O75116 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8750780 0.87 HIF1A (0.39) P2RX7HIF1ASCN2ASCN10APLAAT3
SCHEMBL8750783 0.86 P2RX7 (0.38) P2RX7HIF1ASCN2ASCN10APLAAT3
SCHEMBL8750762 0.85 HIF1A (0.46) P2RX7HIF1ASCN2ASCN10APLAAT3
SCHEMBL5044053 0.83 HIF1A (0.39) P2RX7HIF1ASCN2ASCN10APLAAT3
SCHEMBL5044056 0.83 HIF1A (0.39) P2RX7HIF1ASCN2ASCN10APLAAT3
SCHEMBL8750824 0.82 HIF1A (0.40) P2RX7HIF1ASCN2ASCN10AKMT2A
SCHEMBL8750839 0.81 P2RX7 (0.41) P2RX7HIF1ASCN2ASCN10AKMT2A
SCHEMBL8750766 0.80 P2RX7 (0.42) P2RX7HIF1ASCN2ASCN10ACNR1
SCHEMBL8750857 0.80 LMNA (0.47) P2RX7HIF1ASCN2ASCN10AKMT2A
SCHEMBL8750759 0.79 KDM4E (0.41) P2RX7HIF1ASCN2ASCN10AKMT2A

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