SCHEMBL9750144

SCHEMBL9750144

O=C(O)c1ccc(-c2ccc(C(=O)O)[nH]2)[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.63
HPGD P15428 4/20 0.63
HSD17B10 Q99714 4/20 0.63
USP2 O75604 1/20 0.63
NFKB1 P19838 2/20 0.44
ALOX15 P16050 1/20 0.44
BLM P54132 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTPN1 P18031 2/20 0.41
HCAR2 Q8TDS4 1/20 0.41
DAO P14920 4/20 0.40
MAPT P10636 1/20 0.40
SRD5A2 P31213 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
PIN1 Q13526 2/20 0.38
SMAD3 P84022 1/20 0.38
CYP2C19 P33261 3/20 0.37
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36

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
SCHEMBL70048 0.85 NFKB1 (0.57) KDM4EHPGDHSD17B10USP2NFKB1
SCHEMBL308253 0.84 KDM4E (0.69) KDM4EHPGDHSD17B10USP2PTPN1
SCHEMBL28802807 0.82 NFKB1 (0.55) KDM4EHPGDHSD17B10USP2NFKB1
Hydrochloric Acid SCHEMBL11595983 0.82 NFKB1 (0.55) KDM4EHPGDHSD17B10USP2NFKB1
Hydrochloric Acid SCHEMBL6335114 0.82 KDM4E (0.67) KDM4EHPGDHSD17B10USP2SMN1; SMN2
SCHEMBL6904018 0.82 KDM4E (0.52) KDM4EHPGDHSD17B10USP2NFKB1
SCHEMBL6890851 0.79 KDM4E (0.68) KDM4EHPGDHSD17B10USP2ALOX15
SCHEMBL3154080 0.79 KDM4E (1.00) KDM4EHPGDHSD17B10USP2SMN1; SMN2
Hydrochloric Acid SCHEMBL6343159 0.77 KDM4E (0.61) KDM4EHPGDHSD17B10USP2PTPN1
SCHEMBL21686414 0.77 BRD4 (0.47) KDM4EHPGDHSD17B10USP2PTPN1

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-0515395-A1 SAPPHYRINS, DERIVATIVES AND SYNTHESIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1992-12-02 EP disclosed
WO-1991009861-A1 SAPPHYRINS, DERIVATIVES AND SYNTHESIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1991-07-11 WO disclosed