SCHEMBL8750736

SCHEMBL8750736

N#CN=C(NCCc1ccccc1Cl)c1cncc(NCc2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.38
LMNA P02545 1/20 0.38
PLAAT3 P53816 2/20 0.38
PLAAT5 Q96KN8 2/20 0.38
PLAAT2 Q9NWW9 2/20 0.38
PLAAT4 Q9UL19 2/20 0.38
SCN2A Q99250 2/20 0.37
SCN10A Q9Y5Y9 2/20 0.37
KDR P35968 1/20 0.36
P2RX7 Q99572 2/20 0.36
CHEK1 O14757 1/20 0.35
CNR1 P21554 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ROCK2 O75116 1/20 0.35
PRKCA P17252 1/20 0.35
GRK2 P25098 1/20 0.35
FFAR1 O14842 1/20 0.34

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
SCHEMBL8750822 0.88 P2RX7 (0.37) HIF1ASCN2ASCN10AP2RX7CHEK1
SCHEMBL8750770 0.85 KDR (0.36) HIF1ASCN2ASCN10AKDRP2RX7
SCHEMBL8750857 0.83 LMNA (0.47) HIF1ALMNASCN2ASCN10AP2RX7
SCHEMBL8750775 0.83 HIF1A (0.38) HIF1ASCN2ASCN10AP2RX7CNR1
SCHEMBL8750780 0.83 HIF1A (0.39) HIF1APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL8750762 0.83 HIF1A (0.46) HIF1APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL8750766 0.82 P2RX7 (0.42) HIF1ASCN2ASCN10AP2RX7CHEK1
SCHEMBL8750824 0.82 HIF1A (0.40) HIF1ASCN2ASCN10AP2RX7CNR1
SCHEMBL8750783 0.82 P2RX7 (0.38) HIF1APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL8750765 0.82 KDM4E (0.39) HIF1ASCN2ASCN10AP2RX7CNR1

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