SCHEMBL6748946

SCHEMBL6748946

O=C(O)c1ccc(-c2ccnc(-c3cc(-c4ccc(C(=O)O)cc4)ccn3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.57
MAP4K4 O95819 1/20 0.55
P4HA1 P13674 1/20 0.54
KDM5C P41229 5/20 0.51
KDM4A O75164 4/20 0.51
KDM6B O15054 4/20 0.51
KDM2A Q9Y2K7 4/20 0.51
KDM3A Q9Y4C1 4/20 0.51
KDM4E B2RXH2 4/20 0.51
KDM5B Q9UGL1 3/20 0.51
KDM4C Q9H3R0 3/20 0.51
KDM4B O94953 2/20 0.51
MKNK1 Q9BUB5 2/20 0.50
MKNK2 Q9HBH9 2/20 0.50
TET3 O43151 1/20 0.50
BBOX1 O75936 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
KDM5A P29375 1/20 0.50
ASPH Q12797 1/20 0.50

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
SCHEMBL30899157 1.00 LOXL2 (0.57) LOXL2MAP4K4P4HA1KDM5CKDM4A
SCHEMBL29139199 0.90 LOXL2 (0.59) LOXL2MAP4K4KDM5CKDM4AKDM6B
SCHEMBL28493105 0.90 LOXL2 (0.59) LOXL2MAP4K4P4HA1KDM4EMKNK1
Hydrochloric Acid SCHEMBL28428442 0.88 LOXL2 (0.57) LOXL2MAP4K4MKNK1MKNK2TGFBR1
SCHEMBL4424215 0.87 KDM4E (0.51) LOXL2MAP4K4P4HA1KDM5CKDM4A
SCHEMBL4895581 0.87 LOXL2 (0.56) LOXL2MAP4K4KDM4AKDM4EKDM5B
SCHEMBL4894953 0.87 LOXL2 (0.56) LOXL2MAP4K4KDM4AKDM4EKDM5B
SCHEMBL7936576 0.85 KDM4E (0.61) LOXL2P4HA1KDM5CKDM4AKDM6B
SCHEMBL28284992 0.85 KDM4E (0.66) LOXL2P4HA1KDM5CKDM4AKDM6B
SCHEMBL29160489 0.84 KDM4C (0.49) LOXL2MAP4K4P4HA1KDM5CKDM4A

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
US-6699717-B1 CHANGES IN ITS LUMINESCENCE LIFETIME CHARACTERISTIC/INTENSITY AS A FUNCTION OF THE POLARITY; A SENSOR, PROBE; USES IMINE LIGANDS TO DETECT PRESENCE, AMOUNT OR CONCENTRATION OF A POLAR SOLVENT THE UNIVERSITY OF MARYLAND BALTIMORE COUNTY 2004-03-02 US disclosed
EP-0972184-A4 LUMINESCENT TRANSITION METAL-LIGAND COMPLEX AND SENSOR, PROBE, SYSTEM AND METHOD BASED THEREON FOR DETECTING POLAR SOLVENTS UNIV MARYLAND (US) 2000-03-29 EP disclosed
EP-0972184-A1 LUMINESCENT TRANSITION METAL-LIGAND COMPLEX AND SENSOR, PROBE, SYSTEM AND METHOD BASED THEREON FOR DETECTING POLAR SOLVENTS University of Maryland Baltimore County (US) 2000-01-19 EP disclosed
WO-1998035222-A9 LUMINESCENT TRANSITION METAL-LIGAND COMPLEX AND SENSOR, PROBE, SYSTEM AND METHOD BASED THEREON FOR DETECTING POLAR SOLVENTS 1999-01-07 WO disclosed
WO-1998035222-A1 LUMINESCENT TRANSITION METAL-LIGAND COMPLEX AND SENSOR, PROBE, SYSTEM AND METHOD BASED THEREON FOR DETECTING POLAR SOLVENTS UNIVERSITY OF MARYLAND BALTIMORE COUNTY (US) 1998-08-13 WO disclosed