SCHEMBL9216403

SCHEMBL9216403

COc1ccc(CN=C(NC#N)c2cccnc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
THRB P10828 1/20 0.51
KMT2A Q03164 4/20 0.49
NAMPT P43490 5/20 0.48
MEN1 O00255 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.43
USP2 O75604 1/20 0.42

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
SCHEMBL9214547 1.00 KDM4E (0.51) KDM4ETHRBKMT2ANAMPTMEN1
SCHEMBL9213979 0.87 NAMPT (0.46) KMT2ANAMPTRAB9A
SCHEMBL9218835 0.87 NAMPT (0.46) KMT2ANAMPTRAB9A
SCHEMBL9211586 0.85 NAMPT (0.49) KDM4EKMT2ANAMPTMEN1TDP1
SCHEMBL9211805 0.85 NAMPT (0.49) KDM4EKMT2ANAMPTMEN1TDP1
SCHEMBL9216682 0.84 CYP3A4 (0.52) KDM4EKMT2ANAMPTMEN1NPC1
SCHEMBL9216684 0.84 CYP3A4 (0.52) KDM4EKMT2ANAMPTMEN1NPC1
SCHEMBL9217856 0.84 RAB9A (0.46) KDM4EKMT2ANAMPTMEN1NPC1
SCHEMBL9217852 0.84 RAB9A (0.46) KDM4EKMT2ANAMPTMEN1NPC1
SCHEMBL9209165 0.81 NAMPT (0.49) NAMPTNPC1

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