SCHEMBL9764814

SCHEMBL9764814

NC(=O)N(O)CCc1cccc2c1sc1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.45
PARP14 Q460N5 1/20 0.39
MCL1 Q07820 2/20 0.38
LIMK1 P53667 2/20 0.37
IKBKB O14920 1/20 0.37
SLC9A1 P19634 1/20 0.35
CYP19A1 P11511 1/20 0.35
GPR3 P46089 1/20 0.34
MTNR1A P48039 1/20 0.34
OGG1 O15527 1/20 0.34

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
SCHEMBL9764829 0.78 ALOX5 (0.41) ALOX5LIMK1IKBKBGPR3
SCHEMBL9764833 0.76 ALOX5 (0.43) ALOX5LIMK1IKBKBGPR3OGG1
SCHEMBL9764866 0.76 ALOX5 (0.43) ALOX5LIMK1IKBKBGPR3
SCHEMBL9764888 0.74 ALOX5 (0.75) ALOX5MCL1CYP19A1MTNR1A
SCHEMBL20402087 0.73 MCL1 (0.47) PARP14MCL1
SCHEMBL9764883 0.73 ALOX5 (0.39) ALOX5PARP14MCL1LIMK1SLC9A1
SCHEMBL9764825 0.73 SLC9A1 (0.33) ALOX5SLC9A1
SCHEMBL2957618 0.72 GPR3 (0.50) ALOX5PARP14MCL1CYP19A1GPR3
SCHEMBL11192918 0.72 TDP1 (0.54) ALOX5PARP14MCL1CYP19A1GPR3
SCHEMBL19768711 0.71 GPR3 (0.45) ALOX5PARP14MCL1CYP19A1GPR3

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 5 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
EP-0346939-A1 Tricyclic lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-12-20 EP disclosed
US-4822811-A Carbazole lipoxygenase inhibiting compounds, compositions and use ABBOTT LABORATORIES (US) 1989-04-18 US disclosed