SCHEMBL9216882

SCHEMBL9216882

CC(C)(C)CNC(=NC#N)c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 5/20 0.37
GAA P10253 2/20 0.37
GLA P06280 1/20 0.37
TOP2A P11388 1/20 0.36
GRM4 Q14833 1/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DPP4 P27487 1/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL7959203 0.78 ALDH1A1 (0.50) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL7959200 0.78 ALDH1A1 (0.50) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL9209309 0.77 SMN1; SMN2 (0.43) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL9217500 0.77 KDM4E (0.37) RAB9ANPC1KDM4EALDH1A1GAA
SCHEMBL9213917 0.76 SLC2A1 (0.45) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL9213875 0.75 KDM4E (0.46) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL9217886 0.75 TLR7 (0.44) SMN1; SMN2ALDH1A1GAAGRM4MEN1
SCHEMBL9216635 0.74 NPC1 (0.42) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL9215336 0.74 NPC1 (0.53) RAB9ASMN1; SMN2NPC1TP53KDM4E
SCHEMBL9219153 0.73 HTR1A (0.47) RAB9ASMN1; SMN2NPC1TP53KDM4E

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