SCHEMBL29367154

SCHEMBL29367154

CCOC(=O)c1c(Br)c2ccc(C)nc2n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
MAPK1 P28482 4/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
MAPT P10636 4/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 2/20 0.42
HCRTR1 O43613 1/20 0.42
ALOX15 P16050 1/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
RXFP1 Q9HBX9 3/20 0.41
POLB P06746 2/20 0.40
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.40
GABRP O00591 1/20 0.39

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
SCHEMBL25205865 1.00 KMT2A (0.43) KMT2AMEN1MAPK1SMN1; SMN2MAPT
SCHEMBL25207480 0.81 SMN1; SMN2 (0.46) KMT2AMEN1MAPK1SMN1; SMN2MAPT
SCHEMBL23931478 0.74 ALDH1A1 (0.56) KMT2ASMN1; SMN2MAPTRAB9AALOX15
SCHEMBL10429575 0.74 ALDH1A1 (0.50) KMT2AMEN1MAPK1SMN1; SMN2RAB9A
SCHEMBL8141322 0.73 ALDH1A1 (0.61) KMT2AMEN1MAPK1SMN1; SMN2RAB9A
SCHEMBL11075024 0.72 L3MBTL1 (0.49) KMT2AMEN1MAPK1SMN1; SMN2MAPT
SCHEMBL10003830 0.71 MAPT (0.43) KMT2AMAPK1SMN1; SMN2MAPTRAB9A
SCHEMBL30220548 0.71 JMJD6 (0.40) KMT2AMAPTLMNAALDH1A1KDM4E
SCHEMBL8841223 0.70 KMT2A (0.48) KMT2AMAPK1SMN1; SMN2MAPTRAB9A
SCHEMBL8687098 0.70 ALDH1A1 (0.51) KMT2AMEN1SMN1; SMN2MAPTALOX15

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
EP-4185293-A1 COMPOSITIONS AND METHODS FOR ACTIVATING PYRUVATE KINASE The Regents of The University of Michigan (US) 2023-05-31 EP disclosed
WO-2022020424-A1 COMPOSITIONS AND METHODS FOR ACTIVATING PYRUVATE KINASE THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-01-27 WO disclosed