SCHEMBL6901949

SCHEMBL6901949

COc1cccc2nc(Sc3nc4cccc(OC)c4s3)sc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.48
HSP90AB1 P08238 2/20 0.48
NQO2 P16083 6/20 0.44
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
ELANE P08246 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
G6PD P11413 1/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DCPS Q96C86 1/20 0.40
CYP3A4 P08684 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL6691814 0.89 ALDH1A1 (0.47) HSP90AA1HSP90AB1NQO2ALDH1A1KDM4E
SCHEMBL30189894 0.88 NQO2 (0.43) HSP90AA1HSP90AB1NQO2ALDH1A1KDM4E
SCHEMBL19782783 0.88 NQO2 (0.43) HSP90AA1HSP90AB1NQO2ALDH1A1KDM4E
SCHEMBL7057168 0.83 HSP90AA1 (0.54) HSP90AA1HSP90AB1ALDH1A1KDM4EHPGD
SCHEMBL6697802 0.80 HSP90AA1 (0.39) HSP90AA1HSP90AB1NQO2ALDH1A1KDM4E
SCHEMBL6690657 0.80 HSP90AA1 (0.43) HSP90AA1HSP90AB1NQO2ALDH1A1KDM4E
SCHEMBL8040045 0.78 NQO2 (0.47) NQO2ALDH1A1KDM4EHPGDELANE
SCHEMBL84829 0.76 CYP3A4 (0.57) NQO2ALDH1A1KDM4EHPGDELANE
SCHEMBL2748734 0.76 NQO2 (0.46) NQO2ALDH1A1KDM4EHPGDELANE
SCHEMBL2749006 0.76 ALDH1A1 (0.58) NQO2ALDH1A1KDM4EHPGDELANE

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-0945482-B1 Rubber composition for tire tread and pneumatic tire using same BRIDGESTONE CORP (JP) 2004-01-28 EP disclosed
US-6242522-B1 A DIENE BASED SYNTHETIC RUBBER OR NATURAL RUBBER BLEND CONTAINING BUTADIENE-STYRENE RUBBER, ALUMINUM HYDROXIDE POWDER, SILICA POWDER, CARBON BLACK; LOW FUEL CONSUMPTION AND WEAR RESISTANCE; IMPROVED GRIPPING IN WET AND COLD SITUATIONS BRIDGESTONE CORPORATION (JP) 2001-06-05 US disclosed
EP-0948029-A2 High pressure discharge lamp NGK INSULATORS, LTD. (JP) 1999-10-06 EP disclosed