SCHEMBL9215260

SCHEMBL9215260

N#CN=C(NCCC(c1ccccc1)c1ccccc1)c1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
PLOD2 O00469 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL9211726 0.87 EPHX2 (0.49) EPHX2CYP2C9CYP2C19LMNAHPGD
Hydrochloric Acid SCHEMBL9218721 0.86 EPHX2 (0.48) EPHX2CYP2C9CYP2C19LMNAHPGD
SCHEMBL9214502 0.82 KMT2A (0.61) EPHX2CYP2C9CYP2C19LMNAPLOD2
SCHEMBL9212192 0.82 CFTR (0.44) EPHX2CYP2C9CYP2C19LMNAPLOD2
SCHEMBL9502986 0.81 THRB (0.45) EPHX2CYP2C9CYP2C19LMNAHPGD
Hydrochloric Acid SCHEMBL9211784 0.81 CFTR (0.43) EPHX2CYP2C9CYP2C19LMNAPLOD2
SCHEMBL9211853 0.80 EPHX2 (0.63) EPHX2LMNAMEN1NPC1RAB9A
SCHEMBL9211594 0.79 KEAP1 (0.52) EPHX2CYP2C9CYP2C19PLOD2MEN1
SCHEMBL5947875 0.78 EPHX2 (1.00) EPHX2CYP2C9CYP2C19LMNAHPGD
SCHEMBL9603448 0.78 EPHX2 (0.71) EPHX2CYP2C9CYP2C19LMNAHPGD

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