SCHEMBL9713353

SCHEMBL9713353

COc1cc(OC(C)=O)c2c([S+]([O-])c3ccc(Br)cc3)cccc2c1OC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERO1A Q96HE7 1/20 0.38
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MCL1 Q07820 2/20 0.36
MEN1 O00255 1/20 0.36
HIF1A Q16665 1/20 0.36
TUBB4A P04350 2/20 0.36
TUBB P07437 2/20 0.36
TUBA3C P0DPH7 2/20 0.36
TUBA1B P68363 2/20 0.36
TUBA4A P68366 2/20 0.36
TUBB4B P68371 2/20 0.36
TUBB3 Q13509 2/20 0.36
TUBB2A Q13885 2/20 0.36
TUBB8 Q3ZCM7 2/20 0.36
TUBA3E Q6PEY2 2/20 0.36
TUBA1A Q71U36 2/20 0.36

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
SCHEMBL9713909 0.90 HTT (0.40) KMT2AALDH1A1GAAMAPTL3MBTL1
SCHEMBL9713623 0.89 TUBB4A (0.37) KMT2AALDH1A1GAAMAPTL3MBTL1
SCHEMBL9713621 0.86 HTT (0.39) ERO1AKMT2AALDH1A1GAAMAPT
SCHEMBL9643365 0.84 ABCB11 (0.38) ERO1AKMT2AALDH1A1GAAMAPT
SCHEMBL9713741 0.84 ABCB11 (0.39) KMT2AALDH1A1GAAMAPTL3MBTL1
SCHEMBL9643038 0.82 CTSV (0.36) ERO1AKMT2AGAAMAPTMCL1
SCHEMBL9713691 0.82 KMT2A (0.36) KMT2AALDH1A1GAAMAPTL3MBTL1
SCHEMBL9643798 0.80 PDE4A (0.34) ERO1AKMT2AGAAMAPTMCL1
SCHEMBL9642137 0.79 ESR1 (0.40) KMT2AALDH1A1GAAMAPTL3MBTL1
SCHEMBL9713631 0.78 KDM4E (0.35) KMT2AALDH1A1GAAMAPTL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5091558-A Topical administeration SYNTEX (U.S.A.) INC. (US) 1992-02-25 US disclosed
EP-0150831-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-08-10 EP disclosed