SCHEMBL9220145

SCHEMBL9220145

N#CN=C(N)c1ccncc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.64
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 5/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PLG P00747 1/20 0.39
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL11229878 0.78 POLB (1.00) POLBNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL18419421 0.78 POLB (1.00) POLBNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL9215237 0.77 POLB (0.61) POLBNPC1RAB9AKDM4ELMNA
SCHEMBL21658656 0.75 NPC1 (0.48) POLBNPC1RAB9AMAPTKDM4E
SCHEMBL282989 0.73 KDM1A (0.53) POLBNPC1RAB9AMAPTKDM4E
SCHEMBL282987 0.73 KDM1A (0.53) POLBNPC1RAB9AMAPTKDM4E
SCHEMBL641911 0.73 KDM1A (0.53) POLBNPC1RAB9AMAPTKDM4E
SCHEMBL834376 0.73 PLG (0.50) POLBNPC1RAB9AMAPTKDM4E
SCHEMBL18419428 0.72 POLB (0.78) POLBNPC1RAB9AMAPTKDM4E
SCHEMBL18419427 0.72 POLB (0.78) POLBNPC1RAB9AMAPTKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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