SCHEMBL4244239

SCHEMBL4244239

Oc1ccc(Cc2ccccc2)c(O)c1-c1c[nH]nn1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 3/20 0.45
▸ CTSG P08311 1/20 0.45
▸ BCL2 P10415 1/20 0.40
▸ BCL2L1 Q07817 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4240357 0.77 BACE1 (0.37) BCL2L1ALOX5MEN1KMT2AHPGD
SCHEMBL27920613 0.70 PDE4B (0.39) HPGDHSD17B10
SCHEMBL278522 0.69 BCL2 (0.59) ELANECTSGBCL2BCL2L1PAX8
SCHEMBL29450504 0.69 BCL2 (0.59) ELANECTSGBCL2BCL2L1PAX8
SCHEMBL4542846 0.69 PAX8 (0.46) ELANECTSGBCL2BCL2L1PAX8
SCHEMBL27967409 0.69 PTPN22 (0.43) ALOX5MEN1KMT2AHIF1AHSD17B10
SCHEMBL1644555 0.67 BCL2 (0.55) ELANECTSGBCL2BCL2L1PAX8
SCHEMBL27901201 0.65 BCL2 (0.53) ELANECTSGBCL2BCL2L1PAX8
SCHEMBL10011371 0.65 BCL2 (0.53) ELANECTSGBCL2BCL2L1PAX8
Hydrochloric Acid SCHEMBL21412101 0.65 MAOA (0.37) MEN1KMT2ACYP3A4HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009066060-A2 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE TOPOTARGET A/S (DK) 2009-05-28 — — WO disclosed
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