SCHEMBL9217852

SCHEMBL9217852

CN(C)c1ccc(C/N=C(\NC#N)c2cccnc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
NAMPT P43490 6/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 1/20 0.39
TBXA2R P21731 3/20 0.39
TBXAS1 P24557 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
P2RX7 Q99572 1/20 0.39
HDAC1 Q13547 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 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
SCHEMBL9217856 1.00 RAB9A (0.46) RAB9ANAMPTKMT2AMEN1MAPT
SCHEMBL9218835 0.87 NAMPT (0.46) RAB9ANAMPTKMT2ATBXA2RTBXAS1
SCHEMBL9213979 0.87 NAMPT (0.46) RAB9ANAMPTKMT2ATBXA2RTBXAS1
SCHEMBL9211586 0.85 NAMPT (0.49) RAB9ANAMPTKMT2AMEN1NPC1
SCHEMBL9211805 0.85 NAMPT (0.49) RAB9ANAMPTKMT2AMEN1NPC1
SCHEMBL9216684 0.84 CYP3A4 (0.52) RAB9ANAMPTKMT2AMEN1MAPT
SCHEMBL9216682 0.84 CYP3A4 (0.52) RAB9ANAMPTKMT2AMEN1MAPT
SCHEMBL9214547 0.84 KDM4E (0.51) RAB9ANAMPTKMT2AMEN1NPC1
SCHEMBL9216403 0.84 KDM4E (0.51) RAB9ANAMPTKMT2AMEN1NPC1
SCHEMBL9209165 0.81 NAMPT (0.49) NAMPTNPC1TBXA2RTBXAS1CYP3A4

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