SCHEMBL2178009

SCHEMBL2178009

O=C(O)c1ccc(-c2nc(-c3cccc(C(=O)O)c3)nc(-c3cccc(C(=O)O)c3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.58
CHEK1 O14757 1/20 0.53
RXRA P19793 2/20 0.51
RXRB P28702 2/20 0.51
RXRG P48443 1/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
CD74 P04233 1/20 0.50
MIF P14174 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 2/20 0.49
LMNA P02545 1/20 0.49
ERN1 O75460 1/20 0.49
TRIM24 O15164 1/20 0.49
TRIM33 Q9UPN9 1/20 0.49
KEAP1 Q14145 1/20 0.49

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
SCHEMBL28069322 0.92 KMO (0.67) KMORXRARXRBNPC1RAB9A
SCHEMBL30526004 0.89 KMO (0.75) KMORXRARXRBNPC1RAB9A
SCHEMBL21887690 0.86 NPC1 (0.60) NPC1RAB9AL3MBTL1KDM4EALDH1A1
SCHEMBL21760743 0.86 NPC1 (0.60) NPC1RAB9AL3MBTL1KDM4EALDH1A1
SCHEMBL29904703 0.84 KMO (0.80) KMORXRARXRBRXRGGAA
SCHEMBL69066 0.84 KMO (0.80) KMORXRARXRBRXRGGAA
SCHEMBL10768172 0.84 KMO (0.80) KMORXRARXRBRXRGGAA
SCHEMBL3551496 0.84 KMO (0.80) KMORXRARXRBRXRGGAA
SCHEMBL1975452 0.84 TSHR (0.63) RXRARXRBNPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL17667154 0.82 KMO (0.77) KMORXRARXRBRXRGGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2519467-A1 MODULAR BIOCOMPATIBLE MATERIALS FOR MEDICAL DEVICES AND USES THEREOF Colorado State University Research Foundation (US) 2012-11-07 EP claimed
WO-2011082164-A1 MODULAR BIOCOMPATIBLE MATERIALS FOR MEDICAL DEVICES AND USES THEREOF COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-07-07 WO claimed