SCHEMBL22855428

SCHEMBL22855428

CCCCCNc1nc2c(-c3c(C)cc(C)cc3C)cccc2n1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
UTS2R Q9UKP6 1/20 0.36
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34
GFER P55789 1/20 0.34
HTT P42858 2/20 0.33
TLR8 Q9NR97 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
ATM Q13315 1/20 0.33
KEAP1 Q14145 1/20 0.33
PLEC Q15149 1/20 0.33
NFE2L2 Q16236 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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 0.84 KMT2A (0.38) CRHR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL29873429 0.84 KMT2A (0.38) CRHR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL22855673 0.82 KMT2A (0.39) CRHR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL22855425 0.81 MEN1 (0.45) CRHR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL22855672 0.78 CRHR1 (0.46) CRHR1ALDH1A1MEN1KMT2ATP53
SCHEMBL22855654 0.76 CRHR1 (0.35) CRHR1ALDH1A1MEN1KMT2A
SCHEMBL22833928 0.75 CRHR1 (0.38) CRHR1ALDH1A1MEN1KMT2ALMNA
SCHEMBL29501666 0.75 CRHR1 (0.38) CRHR1ALDH1A1MEN1KMT2ALMNA
SCHEMBL22855422 0.74 KDM4E (0.38) CRHR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL22855169 0.72 CRHR1 (0.43) CRHR1ALDH1A1MEN1KMT2AMAPT

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