SCHEMBL8433301

SCHEMBL8433301

Clc1ccc(Sc2ccccc2Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
SLC6A4 P31645 1/20 0.53
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
HTR1A P08908 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
HTR3A P46098 2/20 0.49
RHEB Q15382 2/20 0.49
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
BLM P54132 1/20 0.47
NOD2 Q9HC29 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
IDO1 P14902 2/20 0.44

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
SCHEMBL3784489 0.86 PDE7A (0.50) MEN1KMT2AHTR1AHTR3ARHEB
SCHEMBL28016927 0.83 NR1H2 (0.52) MEN1KMT2ASLC6A4CYP2D6CYP2C9
SCHEMBL9475092 0.83 SMN1; SMN2 (0.50) MEN1KMT2ASLC6A4CYP1A2CYP3A4
SCHEMBL30958573 0.82 SLC6A4 (0.53) MEN1KMT2ASLC6A4CYP1A2CYP3A4
SCHEMBL8432424 0.80 FBP1 (0.44) MEN1KMT2ASLC6A4CYP1A2CYP3A4
SCHEMBL6915666 0.80 RHEB (0.55) KMT2ARHEBALDH1A1LMNANPSR1
SCHEMBL29543966 0.80 RHEB (0.55) KMT2ARHEBALDH1A1LMNANPSR1
SCHEMBL1713296 0.78 CYP1A2 (0.53) MEN1KMT2ASLC6A4CYP1A2CYP3A4
SCHEMBL7524798 0.78 MEN1 (0.53) MEN1KMT2ASLC6A4CYP1A2CYP3A4
SCHEMBL31016398 0.78 CYP1A2 (0.53) MEN1KMT2ASLC6A4CYP1A2CYP3A4

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-5998670-A Method of making high purity substituted diphenyldisulfides OCCIDENTAL CHEMICAL CORPORATION (US) 1999-12-07 US disclosed
WO-1991006533-A1 NOVEL PROCESS FOR MANUFACTURING COMPOUNDS WITH VALUABLE PHARMACOLOGICAL PROPERTIES AND NEW INTERMEDIATE PRODUCTS FOR THE MANUFACTURE OF THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1991-05-16 WO disclosed