SCHEMBL8009694

SCHEMBL8009694

O=C(c1ccccc1O)n1cccc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 2/20 0.44
MPO P05164 1/20 0.44
HIF1A Q16665 1/20 0.44
HPGD P15428 6/20 0.44
ALDH1A1 P00352 4/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HMGB1 P09429 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
CA14 Q9ULX7 1/20 0.44
HSD17B10 Q99714 3/20 0.42
TSHR P16473 2/20 0.42
MAPT P10636 2/20 0.42

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
SCHEMBL8009473 0.76 NPC1 (0.54) SMN1; SMN2HIF1AHPGDALDH1A1HSD17B10
SCHEMBL27465925 0.74
SCHEMBL27880869 0.71 KDM4E (0.52) KDM4ESMN1; SMN2GAAMPOHIF1A
SCHEMBL8012213 0.69 KMT2A (0.49) KDM4EHPGDALDH1A1MAPTNPC1
SCHEMBL7433887 0.69 KDM4E (0.41) KDM4ESMN1; SMN2GAAMPOHIF1A
SCHEMBL27487992 0.69
SCHEMBL10431336 0.69 HPGD (0.54) KDM4ESMN1; SMN2GAAMPOHIF1A
SCHEMBL31347868 0.67 MEN1 (0.61) KDM4ESMN1; SMN2GAAHPGDALDH1A1
SCHEMBL11718417 0.67 MEN1 (0.61) KDM4ESMN1; SMN2GAAHPGDALDH1A1
Salicylic Acid SCHEMBL1932767 0.65 ALDH1A1 (0.95) KDM4ESMN1; SMN2GAAMPOHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6057315-A INHIBIT BACTERIAL SIGNAL TRANSDUCTION IN MAMMALS WARNER-LAMBERTT COMPANY (US) 2000-05-02 US disclosed
EP-0942912-A1 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1999-09-22 EP disclosed
WO-1998025932-A1 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1998-06-18 WO disclosed