SCHEMBL8750765

SCHEMBL8750765

CS(=O)(=O)Nc1cncc(C(=NC#N)NCCc2ccccc2Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RCE1 Q9Y256 1/20 0.39
P2RX7 Q99572 5/20 0.37
HIF1A Q16665 2/20 0.37
SCN2A Q99250 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
MAPT P10636 1/20 0.37
CNR1 P21554 1/20 0.36
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 1/20 0.35
NTRK1 P04629 1/20 0.35
GRK2 P25098 1/20 0.35
KMT2A Q03164 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 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
SCHEMBL8750766 0.85 P2RX7 (0.42) P2RX7HIF1ASCN2ASCN10AMAPT
SCHEMBL8750822 0.85 P2RX7 (0.37) P2RX7HIF1ASCN2ASCN10AMAPT
SCHEMBL8750775 0.84 HIF1A (0.38) P2RX7HIF1ASCN2ASCN10AMAPT
SCHEMBL8750784 0.84 P2RX7 (0.39) P2RX7HIF1ASCN2ASCN10AMAPT
SCHEMBL8750857 0.83 LMNA (0.47) ALDH1A1P2RX7HIF1ASCN2ASCN10A
SCHEMBL8750770 0.83 KDR (0.36) P2RX7HIF1ASCN2ASCN10ACNR1
SCHEMBL8750839 0.83 P2RX7 (0.41) P2RX7HIF1ASCN2ASCN10AMAPT
SCHEMBL8750847 0.82 GRK2 (0.36) KDM4EALDH1A1RCE1SCN2ASCN10A
SCHEMBL8750851 0.82 GRK2 (0.36) KDM4EALDH1A1RCE1SCN2ASCN10A
SCHEMBL8750762 0.82 HIF1A (0.46) P2RX7HIF1ASCN2ASCN10ACNR1

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