SCHEMBL9768339

SCHEMBL9768339

CC(C)[C@]1(c2ccccc2O)Sc2ccccc2N(C)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.42
ADAMTS5 Q9UNA0 4/20 0.38
MAPT P10636 5/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HCRTR1 O43613 1/20 0.37
MAOA P21397 1/20 0.36
TSHR P16473 1/20 0.35
ALDH1A1 P00352 5/20 0.35
PKM P14618 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4C Q9H3R0 1/20 0.33

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
SCHEMBL10572167 1.00 RAD52 (0.42) RAD52ADAMTS5MAPTLMNAKDM4E
SCHEMBL10572155 0.86 POLB (0.36) RAD52ADAMTS5MAPTLMNAKDM4E
SCHEMBL10771121 0.75 RAD52 (0.35) RAD52ADAMTS5MAPTLMNAKDM4E
SCHEMBL10371341 0.73 RAD52 (0.54) RAD52ADAMTS5MAPTLMNAKDM4E
SCHEMBL9768384 0.73 RAD52 (0.34) RAD52MAPTALDH1A1PKM
SCHEMBL10569643 0.73 ALDH1A1 (0.41) RAD52MAPTLMNATSHRALDH1A1
SCHEMBL9768382 0.73 RAD52 (0.34) RAD52MAPTALDH1A1PKM
SCHEMBL10695401 0.71 RAD52 (0.42) RAD52ADAMTS5MAPTLMNAKDM4E
SCHEMBL10674089 0.69 BACE1 (0.37) RAD52MAPTLMNATSHRALDH1A1
SCHEMBL15314930 0.68 RAB9A (0.53) RAD52ADAMTS5MAPTLMNAKDM4E

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-5025010-A Benzothiazinone derivatives, and pharmaceuticals containing them HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-18 US disclosed
EP-0300391-A1 Benzothiazinone derivatives, process for their production, medicines containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1989-01-25 EP disclosed