SCHEMBL8750857

SCHEMBL8750857

N#CN=C(NCCc1ccccc1Cl)c1cncc(NC(=O)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HIF1A Q16665 2/20 0.47
P2RX7 Q99572 4/20 0.41
CNR1 P21554 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
NAMPT P43490 1/20 0.41
ROCK2 O75116 2/20 0.40
TRPV1 Q8NER1 1/20 0.39
BCAT2 O15382 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ROCK1 Q13464 1/20 0.39
KMT2A Q03164 1/20 0.39
NTRK1 P04629 1/20 0.39

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
SCHEMBL8750766 0.89 P2RX7 (0.42) MAPTHIF1AP2RX7CNR1SCN2A
SCHEMBL8750762 0.86 HIF1A (0.46) HIF1AP2RX7CNR1SCN2ASCN10A
SCHEMBL8750736 0.83 HIF1A (0.38) LMNAHIF1AP2RX7CNR1SCN2A
SCHEMBL8750822 0.83 P2RX7 (0.37) MAPTHIF1AP2RX7CNR1SCN2A
SCHEMBL8750765 0.83 KDM4E (0.39) MAPTHIF1AP2RX7CNR1SCN2A
SCHEMBL8750775 0.82 HIF1A (0.38) MAPTHIF1AP2RX7CNR1SCN2A
SCHEMBL8750856 0.82 MAPT (0.44) LMNAMAPTSMN1; SMN2HIF1ASCN2A
SCHEMBL8750849 0.82 MAPT (0.44) LMNAMAPTSMN1; SMN2HIF1ASCN2A
SCHEMBL8750824 0.81 HIF1A (0.40) HIF1AP2RX7CNR1SCN2ASCN10A
SCHEMBL8750770 0.81 KDR (0.36) HIF1AP2RX7CNR1SCN2ASCN10A

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 3 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 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