SCHEMBL8828261

SCHEMBL8828261

O=C(O)C/C=C/c1ccc(-n2ccnc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.54
TBXAS1 P24557 4/20 0.53
ADH5 P11766 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MITF O75030 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ESR1 P03372 1/20 0.51
CYP3A4 P08684 2/20 0.50
BAZ2B Q9UIF8 1/20 0.50
PAM P19021 1/20 0.50
ENPP2 Q13822 1/20 0.49
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL8828266 1.00 MAOB (0.54) MAOBTBXAS1ADH5MEN1KMT2A
SCHEMBL10520409 0.87 MAOB (0.53) MAOBTBXAS1ADH5MEN1KMT2A
SCHEMBL8828222 0.84 IDO1 (0.50) MAOBTBXAS1ADH5MEN1KMT2A
SCHEMBL8828227 0.84 IDO1 (0.50) MAOBTBXAS1ADH5MEN1KMT2A
SCHEMBL6852411 0.82 ENPP2 (0.54) MAOBTBXAS1ADH5MEN1KMT2A
SCHEMBL7385020 0.82 MAOB (0.52) MAOBADH5MEN1KMT2AKDM4E
SCHEMBL8401613 0.82 MAOB (0.52) MAOBADH5MEN1KMT2AKDM4E
SCHEMBL6852406 0.82 ENPP2 (0.54) MAOBTBXAS1ADH5MEN1KMT2A
SCHEMBL1238620 0.81 ESR1 (0.67) MAOBTBXAS1ADH5MEN1KMT2A
SCHEMBL1238616 0.81 ESR1 (0.67) MAOBTBXAS1ADH5MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5607953-A ANTIISCHEMIC AGENTS EISAI CO., LTD. (JP) 1997-03-04 US disclosed
EP-0344577-B1 Butenoic or propenoic acid derivatives EISAI CO LTD (JP) 1996-10-09 EP disclosed
US-5430059-A Treating heart disease EISAI CO., LTD. (JP) 1995-07-04 US disclosed
US-5382595-A Antiischemic agents EISAI CO., LTD. (JP) 1995-01-17 US disclosed
EP-0633248-A1 Butenoic acid derivatives Eisai Co., Ltd. (JP) 1995-01-11 EP disclosed
EP-0589491-A1 Butenoic acid derivatives Eisai Co., Ltd. (JP) 1994-03-30 EP disclosed
US-5292770-A Butenoic acid derivatives EISAI CO., LTD. (JP) 1994-03-08 US disclosed
US-5177089-A Antiischemic agent, vasodilator EISAI CO., LTD. (JP) 1993-01-05 US disclosed
US-5166188-A Cardiovascular disorders, antiischemic agents EISAI CO., LTD. (JP) 1992-11-24 US disclosed
US-5047417-A Butenoic or propenoic acid derivatives EISAI CO. LTD. (JP) 1991-09-10 US disclosed
EP-0399358-A2 Butenoic acid derivatives Eisai Co., Ltd. (JP) 1990-11-28 EP disclosed
EP-0344577-A2 Butenoic or propenoic acid derivatives Eisai Co., Ltd. (JP) 1989-12-06 EP disclosed