SCHEMBL9211586

SCHEMBL9211586

N#CN/C(=N\Cc1ccccc1)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.49
TBXA2R P21731 2/20 0.48
TBXAS1 P24557 2/20 0.48
P2RX7 Q99572 1/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 1/20 0.44
EPHX2 P34913 1/20 0.44
PLOD2 O00469 1/20 0.43
NPC1 O15118 2/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KEAP1 Q14145 1/20 0.42
ECE1 P42892 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL9211805 1.00 NAMPT (0.49) NAMPTTBXA2RTBXAS1P2RX7KMT2A
SCHEMBL9218835 0.88 NAMPT (0.46) NAMPTTBXA2RTBXAS1P2RX7KMT2A
SCHEMBL9213979 0.88 NAMPT (0.46) NAMPTTBXA2RTBXAS1P2RX7KMT2A
SCHEMBL9216682 0.88 CYP3A4 (0.52) NAMPTTBXA2RTBXAS1P2RX7KMT2A
SCHEMBL9216684 0.88 CYP3A4 (0.52) NAMPTTBXA2RTBXAS1P2RX7KMT2A
SCHEMBL6377119 0.87 EPHX2 (0.48) NAMPTTBXA2RTBXAS1KMT2ALMNA
SCHEMBL9214494 0.87 EPHX2 (0.48) NAMPTTBXA2RTBXAS1KMT2ALMNA
SCHEMBL9209165 0.85 NAMPT (0.49) NAMPTTBXA2RTBXAS1P2RX7NPC1
SCHEMBL9216403 0.85 KDM4E (0.51) NAMPTKMT2ATDP1KDM4ENPC1
SCHEMBL9214547 0.85 KDM4E (0.51) NAMPTKMT2ATDP1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP claimed
US-5223508-A Hypotensive agents, vasodilators KIRIN BEER KABUSHIKI KAISHA (JP) 1993-06-29 US 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