SCHEMBL9214854

SCHEMBL9214854

N#CN=C(NCCc1ccc(Cl)cc1)c1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
MAPT P10636 4/20 0.46
IDO1 P14902 1/20 0.43
RAB9A P51151 4/20 0.43
CNR1 P21554 2/20 0.42
NPC1 O15118 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
TRPA1 O75762 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
XBP1 P17861 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL9211754 0.85 MAPT (0.64) KDM4EMAPTRAB9ANPC1CYP1A2
SCHEMBL9212784 0.80 SMN1; SMN2 (0.42) KDM4EMAPTRAB9ACNR1NPC1
SCHEMBL6818444 0.76 CYP1A2 (0.49) MAPTIDO1RAB9ACNR1NPC1
SCHEMBL1568051 0.76 RAB9A (0.72) KDM4EMAPTRAB9ANPC1CYP1A2
SCHEMBL9214851 0.75 NAMPT (0.45) MAPTCYP2D6CYP2C19MEN1KMT2A
SCHEMBL9214847 0.75 NAMPT (0.45) MAPTCYP2D6CYP2C19MEN1KMT2A
SCHEMBL9218923 0.75 TSHR (0.43) MAPTCYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL2023506 0.74 PPARA (0.71) KDM4EMAPTCYP1A2CYP2D6CYP2C19
SCHEMBL2023508 0.74 PPARA (0.71) KDM4EMAPTCYP1A2CYP2D6CYP2C19
SCHEMBL9214502 0.72 KMT2A (0.61) KDM4EMAPTRAB9ANPC1CYP1A2

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