SCHEMBL22855672

SCHEMBL22855672

Cc1cc(C)c(-c2cccc3c2nc(Nc2c(C)cccc2C)n3C(C)C)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.46
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.39
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.36
LCK P06239 3/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35

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
SCHEMBL29873429 0.86 KMT2A (0.38) CRHR1KMT2AALDH1A1HSD17B10GAA
SCHEMBL22855416 0.86 KMT2A (0.38) CRHR1KMT2AALDH1A1HSD17B10GAA
SCHEMBL22855422 0.81 KDM4E (0.38) CRHR1KMT2AALDH1A1GAALMNA
SCHEMBL22855673 0.80 KMT2A (0.39) CRHR1KMT2AALDH1A1GAALMNA
SCHEMBL29501666 0.80 CRHR1 (0.38) CRHR1KMT2AALDH1A1HSD17B10LMNA
SCHEMBL22833928 0.80 CRHR1 (0.38) CRHR1KMT2AALDH1A1HSD17B10LMNA
SCHEMBL22855425 0.79 MEN1 (0.45) CRHR1KMT2AALDH1A1GAALMNA
SCHEMBL22855428 0.78 CRHR1 (0.41) CRHR1KMT2AALDH1A1LMNAMEN1
SCHEMBL22855654 0.78 CRHR1 (0.35) CRHR1KMT2AALDH1A1MEN1
SCHEMBL22855454 0.74 IDH1 (0.33) CRHR1

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