SCHEMBL9209728

SCHEMBL9209728

COC(=N)c1cnc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.57
CYP1A2 P05177 2/20 0.50
KDM4E B2RXH2 6/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 2/20 0.46
ALOX15 P16050 1/20 0.46
BCAT1 P54687 1/20 0.46
CFTR P13569 1/20 0.46
KDR P35968 1/20 0.45
HPGDS O60760 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MITF O75030 1/20 0.44
XBP1 P17861 1/20 0.44
PAX8 Q06710 1/20 0.44
KLF5 Q13887 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAP4K4 O95819 1/20 0.43
CSNK1G2 P78368 1/20 0.43

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
SCHEMBL29505143 0.81 ALOX15 (0.65) MGAMKDM4EKMT2ASMN1; SMN2HTT
SCHEMBL2031896 0.81 ALOX15 (0.65) MGAMKDM4EKMT2ASMN1; SMN2HTT
SCHEMBL6604155 0.79 MGAM (0.57) MGAMCYP1A2KDM4EBCAT1CFTR
SCHEMBL5674933 0.79 MGAM (0.61) MGAMCYP1A2BCAT1CFTRKDR
SCHEMBL3396690 0.78 MGAM (0.65) MGAMCYP1A2KDM4EBCAT1CFTR
SCHEMBL1765966 0.78 MGAM (0.65) MGAMCYP1A2KDM4EBCAT1CFTR
SCHEMBL28087629 0.78 MGAM (0.59) MGAMCYP1A2KDM4EKMT2ASMN1; SMN2
SCHEMBL5160062 0.76 MGAM (0.58) MGAMKDM4EKMT2ASMN1; SMN2HTT
SCHEMBL27062713 0.76 MGAM (0.53) MGAMCYP1A2KDM4EKMT2ASMN1; SMN2
SCHEMBL2005579 0.75 MGAM (0.71) MGAMCYP1A2KDM4ESMN1; SMN2BCAT1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP disclosed
US-5272164-A Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1993-12-21 US disclosed
US-5223508-A Hypotensive agents, vasodilators KIRIN BEER KABUSHIKI KAISHA (JP) 1993-06-29 US disclosed
US-5166347-A Hypotensive agents, cardiovascular disorders, antiischemic agents and anticoagulants KIRIN BEER KABUSHIKI KAISHA (JP) 1992-11-24 US disclosed
EP-0388528-A2 Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1990-09-26 EP disclosed