SCHEMBL6009396

SCHEMBL6009396

Cc1ccc(Sc2ccc(O)c(N)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.63
ALOX15 P16050 6/20 0.63
HSD17B10 Q99714 6/20 0.63
MCL1 Q07820 2/20 0.53
BCL2 P10415 1/20 0.53
MAPT P10636 7/20 0.45
GAA P10253 7/20 0.45
HPGD P15428 5/20 0.45
ALOX12 P18054 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 3/20 0.45
TP53 P04637 2/20 0.45
MAPK1 P28482 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 3/20 0.43
RECQL P46063 2/20 0.42
HTT P42858 2/20 0.42
PKM P14618 1/20 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
Hydrochloric Acid SCHEMBL7713239 0.98 ALDH1A1 (0.61) ALDH1A1ALOX15HSD17B10MCL1BCL2
SCHEMBL335560 0.87 ALDH1A1 (0.52) ALDH1A1ALOX15HSD17B10MCL1BCL2
SCHEMBL31568748 0.87 ALDH1A1 (0.52) ALDH1A1ALOX15HSD17B10MCL1BCL2
SCHEMBL11630774 0.83 TDP1 (0.56) ALDH1A1ALOX15HSD17B10MCL1BCL2
SCHEMBL11190277 0.83 NR1H2 (0.61) ALDH1A1ALOX15HSD17B10MCL1BCL2
SCHEMBL10728850 0.82 ALDH1A1 (0.53) ALDH1A1ALOX15HSD17B10MCL1BCL2
SCHEMBL21301917 0.82 ALDH1A1 (0.58) ALDH1A1ALOX15HSD17B10MCL1BCL2
SCHEMBL11589722 0.82 TP53 (0.58) ALDH1A1ALOX15HSD17B10MCL1BCL2
SCHEMBL11196815 0.80 ALDH1A1 (0.42) ALDH1A1ALOX15HSD17B10MCL1BCL2
SCHEMBL11196256 0.80 MCL1 (0.53) ALDH1A1ALOX15HSD17B10MCL1BCL2

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
EP-0083204-A2 2-Aminophenol derivatives and process for their preparation ONO PHARMACEUTICAL CO., LTD. (JP) 1983-07-06 EP claimed
US-7132441-B2 Immunosuppressive effects of administration of a cyclooxygenase-2 inhibitor and a 5-lipoxygenase inhibitor G.D. SEARLE & CO. (US) 2006-11-07 US disclosed
EP-0083204-A2 2-Aminophenol derivatives and process for their preparation ONO PHARMACEUTICAL CO., LTD. (JP) 1983-07-06 EP disclosed