SCHEMBL9216871

SCHEMBL9216871

N#CN=C(NCc1cccc(OCc2ccccc2)c1)c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
BCHE P06276 3/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
GPR132 Q9UNW8 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
BLM P54132 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GRK2 P25098 1/20 0.46
GRK3 P35626 1/20 0.46
NR4A2 P43354 1/20 0.45
HDAC3 O15379 1/20 0.45

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
SCHEMBL9213482 0.88 MAPK1 (0.57) MAPK1BCHESMN1; SMN2GPR132ALDH1A1
SCHEMBL9216859 0.79 GRK2 (0.47) MAPK1BCHEMEN1KMT2ASMN1; SMN2
SCHEMBL9216865 0.79 GRK2 (0.47) MAPK1BCHEMEN1KMT2ASMN1; SMN2
SCHEMBL12352660 0.73 CYP3A4 (0.46) MAPK1BCHEMEN1KMT2ASMN1; SMN2
SCHEMBL1681043 0.73 CYP3A4 (0.46) MAPK1BCHEMEN1KMT2ASMN1; SMN2
SCHEMBL1681042 0.73 CYP3A4 (0.46) MAPK1BCHEMEN1KMT2ASMN1; SMN2
SCHEMBL9218923 0.72 TSHR (0.43) MAPK1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8792578 0.72 NR4A2 (0.67) MEN1KMT2AGPR132ALDH1A1GRK2
SCHEMBL25247564 0.71 BCHE (0.67) BCHEMEN1KMT2AALDH1A1KDM4E
SCHEMBL556015 0.70 POLB (0.43) KMT2ASMN1; SMN2ALDH1A1MAPTPKM

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