SCHEMBL9214523

SCHEMBL9214523

N#CNC(=NCCc1ccccc1)c1cnc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.45
MGAM O43451 1/20 0.45
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NAMPT P43490 2/20 0.40
ADORA2A P29274 1/20 0.39
HRH4 Q9H3N8 3/20 0.39
HRH2 P25021 2/20 0.39
TRPV1 Q8NER1 4/20 0.38
BCAT1 P54687 1/20 0.38
KDR P35968 1/20 0.37
PREP P48147 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37

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
SCHEMBL9214516 1.00 CFTR (0.45) CFTRMGAMKDM4EMEN1ALDH1A1
SCHEMBL8750814 0.79 HRH4 (0.41) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL9218461 0.78 MGAM (0.40) CFTRMGAMKDM4EMEN1ALDH1A1
SCHEMBL9214530 0.77 RAB9A (0.54) CFTRMGAMKDM4EMEN1ALDH1A1
SCHEMBL6377119 0.77 EPHX2 (0.48) KDM4EMEN1ALDH1A1RAB9AKMT2A
SCHEMBL9214494 0.77 EPHX2 (0.48) KDM4EMEN1ALDH1A1RAB9AKMT2A
SCHEMBL9210611 0.75 MEN1 (0.43) MEN1RAB9AKMT2ASMN1; SMN2NAMPT
SCHEMBL9210605 0.75 MEN1 (0.43) MEN1RAB9AKMT2ASMN1; SMN2NAMPT
SCHEMBL9214373 0.73 GPR52 (0.42) ALDH1A1MAPTSMN1; SMN2NAMPTHRH4
SCHEMBL9216833 0.73 GPR52 (0.41) ALDH1A1MAPTSMN1; SMN2NAMPTHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP claimed
EP-0388528-A2 Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1990-09-26 EP claimed
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