SCHEMBL15572132

SCHEMBL15572132

COc1ccc(-c2c3c([nH]c(=S)c2C#N)CCC3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 1.00
MAPT P10636 8/20 1.00
CUL4A Q13619 6/20 1.00
MEN1 O00255 6/20 1.00
KMT2A Q03164 6/20 1.00
HPGD P15428 6/20 1.00
KDM4E B2RXH2 5/20 1.00
NPSR1 Q6W5P4 2/20 1.00
MAPK10 P53779 1/20 1.00
RXFP1 Q9HBX9 1/20 1.00
GAA P10253 3/20 0.67
APOBEC3G Q9HC16 2/20 0.64
PKM P14618 1/20 0.64
POLB P06746 3/20 0.54
ALOX15 P16050 2/20 0.54
BLM P54132 2/20 0.54
HSD17B10 Q99714 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
PPARG P37231 2/20 0.54
NCOR2 Q9Y618 2/20 0.54

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
SCHEMBL15571179 0.97 CUL4A (1.00) ALDH1A1MAPTCUL4AMEN1KMT2A
SCHEMBL18719837 0.81 PDE9A (0.73) ALDH1A1MAPTCUL4AMEN1KMT2A
SCHEMBL15571850 0.81 CUL4A (1.00) ALDH1A1MAPTCUL4AMEN1KMT2A
SCHEMBL24232982 0.70 HPGD (0.56) ALDH1A1MAPTCUL4AMEN1KMT2A
SCHEMBL6253844 0.70 KDM4E (1.00) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL17747485 0.69 ALDH1A1 (0.76) ALDH1A1MAPTCUL4AMEN1KMT2A
SCHEMBL15570369 0.68 ALDH1A1 (1.00) ALDH1A1MAPTCUL4AMEN1KMT2A
SCHEMBL15572315 0.68 CUL4A (1.00) ALDH1A1MAPTCUL4AMEN1KMT2A
SCHEMBL1539839 0.68 CUL4A (0.73) ALDH1A1MAPTCUL4AMEN1KMT2A
SCHEMBL6253678 0.68 KDM4E (0.95) ALDH1A1MEN1KMT2AHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150196546-A1 INHIBITORS OF CRL4 UBIQUITIN LIGASE AND USES THEREOF CORNELL UNIVERSITY 2015-07-16 US claimed
EP-2887940-A2 INHIBITORS OF CRL4 UBIQUITIN LIGASE AND USES THEREOF Cornell University (US) 2015-07-01 EP claimed
WO-2014031759-A2 INHIBITORS OF CRL4 UBIQUITIN LIGASE AND USES THEREOF CORNELL UNIVERSITY (US) 2014-02-27 WO claimed
US-10617683-B2 Inhibitors of CRL4 ubiquitin ligase and uses thereof CORNELL UNIVERSITY (US) 2020-04-14 US disclosed
EP-2887940-B1 INHIBITORS OF CRL4 UBIQUITIN LIGASE AND USES THEREOF UNIV CORNELL (US) 2019-06-05 EP disclosed
US-20150196546-A1 INHIBITORS OF CRL4 UBIQUITIN LIGASE AND USES THEREOF CORNELL UNIVERSITY 2015-07-16 US disclosed
EP-2887940-A2 INHIBITORS OF CRL4 UBIQUITIN LIGASE AND USES THEREOF Cornell University (US) 2015-07-01 EP disclosed
WO-2014031759-A2 INHIBITORS OF CRL4 UBIQUITIN LIGASE AND USES THEREOF CORNELL UNIVERSITY (US) 2014-02-27 WO disclosed