SCHEMBL8750784

SCHEMBL8750784

CS(=O)(=O)N(c1cncc(C(=NC#N)NCCc2ccccc2Cl)c1)S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.39
HIF1A Q16665 2/20 0.36
GAA P10253 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
MAPT P10636 1/20 0.36
ABCB11 O95342 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
PLAAT3 P53816 1/20 0.34
PLAAT5 Q96KN8 1/20 0.34
PLAAT2 Q9NWW9 1/20 0.34
PLAAT4 Q9UL19 1/20 0.34
KMT2A Q03164 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
SCHEMBL8750759 0.87 KDM4E (0.41) P2RX7HIF1ASCN2ASCN10AMAPT
SCHEMBL8750765 0.84 KDM4E (0.39) P2RX7HIF1ASCN2ASCN10AMAPT
SCHEMBL8750860 0.82 HTR3E (0.36) P2RX7GAASCN2ASCN10A
SCHEMBL8750863 0.82 HTR3E (0.36) P2RX7GAASCN2ASCN10A
SCHEMBL8750783 0.82 P2RX7 (0.38) P2RX7HIF1ASCN2ASCN10AMAPT
SCHEMBL8750839 0.82 P2RX7 (0.41) P2RX7HIF1ASCN2ASCN10AMAPT
SCHEMBL8750762 0.81 HIF1A (0.46) P2RX7HIF1ASCN2ASCN10AROCK2
SCHEMBL8750766 0.81 P2RX7 (0.42) P2RX7HIF1ASCN2ASCN10AMAPT
SCHEMBL8750824 0.81 HIF1A (0.40) P2RX7HIF1ASCN2ASCN10AROCK2
SCHEMBL5044056 0.80 HIF1A (0.39) P2RX7HIF1ASCN2ASCN10AROCK2

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