SCHEMBL9212124

SCHEMBL9212124

CO/C(=N\C#N)c1cnc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.48
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 2/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
CYP3A4 P08684 1/20 0.40
BCAT1 P54687 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
HPGDS O60760 2/20 0.39
CFTR P13569 1/20 0.39
KDR P35968 1/20 0.39
CCR1 P32246 1/20 0.39
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
XBP1 P17861 1/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 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
SCHEMBL9212136 1.00 MGAM (0.48) MGAMKDM4EKMT2ASMN1; SMN2CYP1A2
SCHEMBL9209728 0.74 MGAM (0.57) MGAMKDM4EKMT2ASMN1; SMN2CYP1A2
SCHEMBL1765966 0.73 MGAM (0.65) MGAMKDM4ECYP1A2BCAT1HPGDS
SCHEMBL3455076 0.73 POLB (0.52) KMT2ASMN1; SMN2MAPTHTTNPC1
SCHEMBL3455077 0.73 POLB (0.52) KMT2ASMN1; SMN2MAPTHTTNPC1
SCHEMBL29505143 0.73 ALOX15 (0.65) MGAMKDM4EKMT2ASMN1; SMN2BCAT1
SCHEMBL2031896 0.73 ALOX15 (0.65) MGAMKDM4EKMT2ASMN1; SMN2BCAT1
SCHEMBL9214530 0.73 RAB9A (0.54) MGAMKDM4EKMT2ASMN1; SMN2MEN1
Acetonitrile SCHEMBL9903188 0.71 MGAM (0.81) MGAMKDM4EKMT2ASMN1; SMN2CYP1A2
SCHEMBL9211506 0.70 HSD17B10 (0.42) MGAMKDM4EKMT2ASMN1; SMN2MEN1

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