SCHEMBL22855673

SCHEMBL22855673

Cc1cc(C)c(-c2cccc3c2nc(NCC(C)(C)C)n3C(C)C)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
CRHR1 P34998 6/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 3/20 0.34
HTT P42858 2/20 0.34
PKM P14618 3/20 0.33
LMNA P02545 3/20 0.33
GFER P55789 1/20 0.33
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL22855416 0.86 KMT2A (0.38) KMT2AMEN1CRHR1ALDH1A1KDM4E
SCHEMBL29873429 0.86 KMT2A (0.38) KMT2AMEN1CRHR1ALDH1A1KDM4E
SCHEMBL22855654 0.84 CRHR1 (0.35) KMT2AMEN1CRHR1ALDH1A1CNR1
SCHEMBL22855425 0.83 MEN1 (0.45) KMT2AMEN1CRHR1ALDH1A1KDM4E
SCHEMBL22855428 0.82 CRHR1 (0.41) KMT2AMEN1CRHR1ALDH1A1KDM4E
SCHEMBL22855672 0.80 CRHR1 (0.46) KMT2AMEN1CRHR1ALDH1A1MAPT
SCHEMBL22833928 0.77 CRHR1 (0.38) KMT2AMEN1CRHR1ALDH1A1MAPT
SCHEMBL29501666 0.77 CRHR1 (0.38) KMT2AMEN1CRHR1ALDH1A1MAPT
SCHEMBL22855422 0.76 KDM4E (0.38) KMT2AMEN1CRHR1ALDH1A1KDM4E
SCHEMBL22855454 0.74 IDH1 (0.33) CRHR1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020263790-A1 OLEFIN POLYMERIZATION CATALYSTS BEARING A THIAZOLE OR IMIDAZOLE DOW GLOBAL TECHNOLOGIES LLC (US) 2020-12-30 WO disclosed