SCHEMBL6560025

SCHEMBL6560025

COc1ccccc1NCC(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.66
MEN1 O00255 3/20 0.66
RAB9A P51151 3/20 0.59
AGTR1 P30556 2/20 0.59
KDM4E B2RXH2 2/20 0.59
NPC1 O15118 4/20 0.58
HPGD P15428 3/20 0.55
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPT P10636 2/20 0.53
HTT P42858 2/20 0.53
POLB P06746 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KCNH2 Q12809 1/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL29557428 0.85 POLB (0.56) KMT2AMEN1RAB9AKDM4ENPC1
SCHEMBL1816768 0.85 POLB (0.56) KMT2AMEN1RAB9AKDM4ENPC1
SCHEMBL6841567 0.84 KMT2A (0.57) KMT2AMEN1RAB9AKDM4ENPC1
SCHEMBL9768242 0.83 ALPG (0.50) KMT2AMEN1KDM4ENPC1HPGD
SCHEMBL8704295 0.81 GAA (0.55) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL5123431 0.81 GAA (0.55) KMT2AMEN1KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL5774955 0.80 GAA (0.53) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL3315763 0.79 KMT2A (1.00) KMT2AMEN1RAB9ANPC1HPGD
SCHEMBL29287986 0.79 SMN1; SMN2 (0.52) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL5320792 0.78 RAB9A (0.65) KMT2AMEN1RAB9AAGTR1KDM4E

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-1071670-B1 NOVEL DIPHENYL-SUBSTITUTED 5-RING-HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2004-07-07 EP disclosed
US-6255327-B1 ANTIHYPOXC, ANTIISCHEMIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-03 US disclosed
EP-1071670-A1 NOVEL DIPHENYL-SUBSTITUTED 5-RING-HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2001-01-31 EP disclosed
WO-1999054314-A1 NOVEL DIPHENYL-SUBSTITUTED 5-RING-HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-28 WO disclosed
WO-1998045260-A1 PROCESS FOR STEREOSELECTIVE PREPARATION OF AZETIDINONES CHOONGWAE PHARMACEUTICAL CO., LTD. (KR) 1998-10-15 WO disclosed