SCHEMBL9218461

SCHEMBL9218461

N#CNC(=NCCO[N+](=O)[O-])c1cnc2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NAMPT P43490 1/20 0.39
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 2/20 0.37
CFTR P13569 1/20 0.36
PREP P48147 1/20 0.36
KDR P35968 1/20 0.36
BCAT1 P54687 1/20 0.34
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 2/20 0.34
NOTUM Q6P988 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL9211506 0.80 HSD17B10 (0.42) MGAMALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL8750746 0.80 HDAC1 (0.35) SMN1; SMN2KMT2AHDAC1HSD17B10MEN1
SCHEMBL5605989 0.78 MEN1 (0.53) ALDH1A1NAMPTSMN1; SMN2MAPTKMT2A
SCHEMBL6460660 0.78 MEN1 (0.53) ALDH1A1NAMPTSMN1; SMN2MAPTKMT2A
SCHEMBL9214516 0.78 CFTR (0.45) MGAMALDH1A1NAMPTRAB9ASMN1; SMN2
SCHEMBL9214523 0.78 CFTR (0.45) MGAMALDH1A1NAMPTRAB9ASMN1; SMN2
SCHEMBL9600959 0.78 CYP2C9 (0.38) NAMPTMAPTKMT2AHSD17B10MEN1
SCHEMBL9211867 0.78 CYP2C9 (0.38) NAMPTMAPTKMT2AHSD17B10MEN1
SCHEMBL8750786 0.78 MEN1 (0.34) ALDH1A1KDM4EKMT2ALMNAHSD17B10
SCHEMBL9209089 0.77 HTR1A (0.46) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT

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-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 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