SCHEMBL8620184

SCHEMBL8620184

Clc1ccc(OC[CH]c2ccc3ccccc3c2)c2c(Cl)c[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.35
RAB9A P51151 1/20 0.33
PTGS1 P23219 1/20 0.31
RELA Q04206 1/20 0.31
APP P05067 1/20 0.31
MAPT P10636 1/20 0.31
PTGER3 P43115 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8492022 0.73 LTA4H (0.34) RAB9ARELA
SCHEMBL7207522 0.68 MEN1 (0.31) MAPTALDH1A1L3MBTL1
SCHEMBL8489503 0.68 CDC7 (0.30)
SCHEMBL8617142 0.66 MEN1 (0.30) MAPTALDH1A1L3MBTL1
SCHEMBL9066108 0.64 NQO2 (0.51) NQO2RAB9APTGS1RELAAPP
SCHEMBL7207966 0.63 KMT2A (0.51) KDM4E
SCHEMBL140015 0.59 RELA (0.54) NQO2RAB9APTGS1RELAMAPT
SCHEMBL7805362 0.58 RELA (0.52) NQO2RAB9APTGS1RELAMAPT
SCHEMBL28140562 0.58 RELA (0.52) NQO2RAB9APTGS1RELAMAPT
SCHEMBL9527298 0.58 RELA (0.52) NQO2RAB9APTGS1RELAMAPT

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-5817690-A ANTIDOPAMINE AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-10-06 US disclosed