SCHEMBL22682009

SCHEMBL22682009

CN(C)c1ccc(N(C)c2ccc3c(c2)CCCC3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
MAPK1 P28482 3/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 5/20 0.42
TSHR P16473 4/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP3A4 P08684 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
NOX4 Q9NPH5 1/20 0.38
NOX1 Q9Y5S8 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM6B O15054 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
AVPR2 P30518 1/20 0.36

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
SCHEMBL22681798 0.96 RXRA (0.43) RXRARXRBRXRGMAPK1MAPT
SCHEMBL15466082 0.88 RXRA (0.47) RXRARXRBRXRGMAPK1MAPT
SCHEMBL13569439 0.87 ALDH1A1 (0.43) RXRARXRBRXRGMAPTALDH1A1
SCHEMBL17378763 0.87 RXRA (0.46) RXRARXRBRXRGMAPK1MAPT
SCHEMBL22681736 0.85 RXRA (0.44) RXRARXRBRXRGKDM6BKDM4C
SCHEMBL22681849 0.85 CHKA (0.42) RXRARXRBRXRGKDM4CAVPR2
SCHEMBL22681645 0.85 RXRA (0.41) RXRARXRBRXRGMAPK1MAPT
SCHEMBL22681902 0.84 SIGMAR1 (0.41) RXRARXRBRXRGMAPTSMN1; SMN2
SCHEMBL1254154 0.84 RXRA (0.47) RXRARXRBRXRGMAPK1MAPT
SCHEMBL19049725 0.83 RXRA (0.39) RXRARXRBRXRGMAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3160952-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2020-12-02 EP disclosed
EP-3741749-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2020-11-25 EP disclosed
EP-3738960-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2020-11-18 EP disclosed