SCHEMBL9565864

SCHEMBL9565864

Cc1ccc2scc(-c3ccccc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
LMNA P02545 4/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAOB P27338 3/20 0.42
GSK3B P49841 1/20 0.42
PSMB5 P28074 1/20 0.40
CA2 P00918 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2B6 P20813 1/20 0.40
TP53 P04637 1/20 0.40
USP2 O75604 1/20 0.39
THRB P10828 1/20 0.39
CYP17A1 P05093 1/20 0.38
CYP1A2 P05177 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38

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
SCHEMBL1311055 0.81 GSK3B (0.43) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL23987324 0.79 MAOB (0.38) MAOBGSK3BCYP2A6CYP2B6CYP17A1
SCHEMBL11617762 0.79 CYP2A6 (0.53) MAPTLMNAALDH1A1KDM4EMEN1
SCHEMBL23987244 0.79 CYP2A6 (0.49) MAPTALDH1A1MAOBGSK3BCA2
SCHEMBL23987338 0.78 MTNR1A (0.43) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL7384280 0.78 MAOB (0.52) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL5848721 0.77 CYP2A6 (0.52) MAPTALDH1A1MAOBCYP2A6CYP17A1
SCHEMBL31092063 0.77 CYP2A6 (0.52) MAPTALDH1A1MAOBCYP2A6CYP17A1
SCHEMBL12365265 0.75 KDM4E (0.44) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL6979386 0.75 ERN1 (0.47) MAPTLMNAALDH1A1KDM4EMEN1

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
US-20230165131-A1 LIGHT EMITTING ELEMENT SAMSUNG DISPLAY CO., LTD. (KR) 2023-05-25 US disclosed
WO-2021219775-A1 MICROBIOCIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-11-04 WO disclosed
EP-0526951-A1 3-Phenyl benzo b thiophenes as pesticidal compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-02-10 EP disclosed