SCHEMBL27610085

SCHEMBL27610085

O=C(c1cccs1)c1ccc2ccccc2c1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.62
LMNA P02545 1/20 0.62
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
HPGDS O60760 1/20 0.50
DAO P14920 1/20 0.47
TSHR P16473 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
WDR5 P61964 1/20 0.46
LDHA P00338 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
CDC25B P30305 1/20 0.44

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
SCHEMBL11195206 0.80 ALOX15 (0.62) ALOX15LMNAMEN1KMT2AHPGDS
SCHEMBL3859942 0.77 ALOX15 (1.00) ALOX15LMNAMEN1KMT2AHPGDS
SCHEMBL33850 0.77 WDR5 (0.68) ALOX15LMNAMEN1KMT2AWDR5
SCHEMBL27804512 0.77 WDR5 (0.68) ALOX15LMNAMEN1KMT2AWDR5
Benzene SCHEMBL27549874 0.77 WDR5 (0.68) ALOX15LMNAMEN1KMT2AWDR5
SCHEMBL29376013 0.77 WDR5 (0.68) ALOX15LMNAMEN1KMT2AWDR5
SCHEMBL9148337 0.77 LMNA (0.85) ALOX15LMNAMEN1KMT2AHPGDS
SCHEMBL29079300 0.76 HPGDS (0.53) ALOX15LMNAMEN1KMT2AHPGDS
Hydrochloric Acid SCHEMBL608188 0.76 LDHA (0.69) ALOX15LMNAMEN1KMT2AWDR5
SCHEMBL4577224 0.76 WDR5 (0.66) ALOX15LMNAMEN1KMT2AWDR5

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
CN-1549714-A Aminoisoxazole derivatives active as kinase inhibitors 2004-11-24 CN disclosed