SCHEMBL9764852

SCHEMBL9764852

NC(=O)N(O)CCc1ccc2c(c1)sc1cc(Cc3ccccc3)ccc12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 3/20 0.40
PLA2G2A P14555 3/20 0.40
ALOX5 P09917 8/20 0.39
SLCO1B1 Q9Y6L6 1/20 0.38
HNF4A P41235 1/20 0.37
GPR17 Q13304 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
IDH1 O75874 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35

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
SCHEMBL9764833 0.88 ALOX5 (0.43) ALOX5
SCHEMBL9764809 0.82 PLA2G10 (0.40) PLA2G10PLA2G2AALOX5SLCO1B1HNF4A
SCHEMBL10559630 0.81 ALOX5 (0.42) ALOX5
SCHEMBL9764866 0.81 ALOX5 (0.43) ALOX5
SCHEMBL9764883 0.79 ALOX5 (0.39) PLA2G10PLA2G2AALOX5SLCO1B1
SCHEMBL9764825 0.77 SLC9A1 (0.33) ALOX5
SCHEMBL10561140 0.76 ALOX5 (0.53) ALOX5
SCHEMBL9373618 0.76 ALOX5 (0.57) ALOX5
Ammonia Solution, Strong SCHEMBL9764837 0.74 ALDH1A1 (0.39) ALOX5
SCHEMBL9764870 0.73 ALDH1A1 (0.38) ALOX5

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-0422079-A4 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE 1991-08-21 EP disclosed
EP-0422079-A1 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE ABBOTT LABORATORIES (US) 1991-04-17 EP disclosed
WO-1989012636-A1 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE ABBOTT LABORATORIES (US) 1989-12-28 WO disclosed