SCHEMBL7147902

SCHEMBL7147902

Oc1ccc2cc[nH]c2c1.Oc1cccc2[nH]ccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.68
USP2 O75604 1/20 0.49
GAA P10253 1/20 0.49
ALOX15 P16050 1/20 0.49
RAD51 Q06609 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NLRP3 Q96P20 3/20 0.44
AHR P35869 5/20 0.41
TRPA1 O75762 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
ADK P55263 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41

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
SCHEMBL5464095 0.83 KDM4E (0.43) TYRUSP2GAAALOX15RAD51
SCHEMBL34240 0.82 TYR (1.00) TYRUSP2GAAALOX15RAD51
SCHEMBL29355861 0.82 TYR (1.00) TYRUSP2GAAALOX15RAD51
SCHEMBL9232128 0.82 AHR (0.56) ALOX15AHRTRPA1CA1CA2
SCHEMBL26495 0.82 AHR (0.56) ALOX15AHRTRPA1CA1CA2
SCHEMBL29363007 0.82 AHR (0.56) ALOX15AHRTRPA1CA1CA2
SCHEMBL25177318 0.80 AHR (0.54) ALOX15AHRTRPA1CA1CA2
Hydrochloric Acid SCHEMBL8356509 0.80 AHR (0.54) ALOX15AHRTRPA1CA1CA2
Iodide SCHEMBL30373944 0.80 AHR (0.54) ALOX15AHRTRPA1CA1CA2
SCHEMBL5447196 0.75 TYR (0.84) TYRUSP2GAAALOX15RAD51

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
US-6648924-B2 Quaternary indole or pyridine substituted hydrazone derivatives; vivid colors ranging from yellow to orange KAO CORPORATION (JP) 2003-11-18 US disclosed