SCHEMBL9214622

SCHEMBL9214622

N#CNC(=NCC(OCc1ccccc1)c1ccccc1)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 1/20 0.38
EPHX2 P34913 3/20 0.37
NAMPT P43490 3/20 0.37
GPR132 Q9UNW8 2/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ECE1 P42892 1/20 0.36
TBXA2R P21731 1/20 0.36
TBXAS1 P24557 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SGMS2 Q8NHU3 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36

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
SCHEMBL9214617 1.00 LMNA (0.44) LMNAKMT2ATDP1RAB9AEPHX2
Hydrochloric Acid SCHEMBL9211425 0.99 LMNA (0.43) LMNAKMT2ATDP1RAB9AEPHX2
Hydrochloric Acid SCHEMBL9211420 0.99 LMNA (0.43) LMNAKMT2ATDP1RAB9AEPHX2
SCHEMBL9211713 0.83 EPHX2 (0.46) LMNAKMT2AEPHX2NAMPTHTT
SCHEMBL9211715 0.83 EPHX2 (0.46) LMNAKMT2AEPHX2NAMPTHTT
Hydrochloric Acid SCHEMBL9218712 0.82 EPHX2 (0.45) LMNAEPHX2NAMPTHTTTBXA2R
Hydrochloric Acid SCHEMBL9218717 0.82 EPHX2 (0.45) LMNAEPHX2NAMPTHTTTBXA2R
SCHEMBL9597225 0.80 LMNA (0.51) LMNAKMT2ATDP1RAB9AHTT
SCHEMBL9214627 0.80 LMNA (0.42) LMNAKMT2ATDP1RAB9AEPHX2
Hydrochloric Acid SCHEMBL10435075 0.79 LMNA (0.50) LMNAKMT2ATDP1RAB9AHTT

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-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-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