SCHEMBL16201474

SCHEMBL16201474

CCC(=O)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.77
MEN1 O00255 3/20 0.77
MAPT P10636 3/20 0.73
GAA P10253 2/20 0.73
RAB9A P51151 4/20 0.71
NPC1 O15118 2/20 0.71
ALDH1A1 P00352 4/20 0.69
HPGD P15428 2/20 0.69
KDM4E B2RXH2 1/20 0.69
SMN1; SMN2 Q16637 4/20 0.68
MITF O75030 1/20 0.68
HTT P42858 1/20 0.68
TP53 P04637 1/20 0.61
HDAC3 O15379 2/20 0.58
HDAC4 P56524 2/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC7 Q8WUI4 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC11 Q96DB2 2/20 0.58

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
SCHEMBL9706 0.88 MAPT (0.85) KMT2AMEN1MAPTGAARAB9A
Water SCHEMBL27398863 0.86 GAA (0.81) KMT2AMEN1MAPTGAARAB9A
SCHEMBL11340463 0.86 GAA (0.81) KMT2AMEN1MAPTGAARAB9A
SCHEMBL27806510 0.86 GAA (0.81) KMT2AMEN1MAPTGAARAB9A
Hydrochloric Acid SCHEMBL29096649 0.86 GAA (0.81) KMT2AMEN1MAPTGAARAB9A
Hydrochloric Acid SCHEMBL3308284 0.86 GAA (0.81) KMT2AMEN1MAPTGAARAB9A
SCHEMBL11341322 0.86 GAA (0.81) KMT2AMEN1MAPTGAARAB9A
SCHEMBL11334339 0.86 GAA (0.81) KMT2AMEN1MAPTGAARAB9A
SCHEMBL13989319 0.85 GAA (0.73) KMT2AMEN1MAPTGAARAB9A
SCHEMBL23063828 0.85 ALDH1A1 (0.65) KMT2AMEN1MAPTGAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023282236-A1 RARE EARTH COMPLEX 東ソー株式会社 2023-01-12 WO disclosed
EP-3184526-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS JANUS KINASE INHIBITOR Incyte Holdings Corporation (US) 2017-06-28 EP disclosed
EP-2343299-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2017-03-08 EP disclosed
EP-2474545-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2016-11-09 EP disclosed
EP-2426129-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2016-11-02 EP disclosed
EP-2455382-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2016-10-26 EP disclosed
EP-2343299-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORP (US) 2015-11-04 EP disclosed
EP-2343298-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORP (US) 2015-05-06 EP disclosed
EP-2348023-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORP (US) 2015-05-06 EP disclosed
WO-2014175832-A1 WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-10-30 WO disclosed