SCHEMBL24352191

SCHEMBL24352191

Cc1cc2c(cc1-c1ccc(N(c3ccccc3)c3ccccc3)cc1)C(C)(C)c1cc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)cc3)c(C)cc1-2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ESR2 Q92731 1/20 0.34
PDK2 Q15119 3/20 0.34
MEN1 O00255 1/20 0.31
CRHBP P24387 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
CRHR2 Q13324 1/20 0.31

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
SCHEMBL24352015 0.94 ALDH1A1 (0.39) RXRARXRBRXRGALDH1A1L3MBTL1
SCHEMBL24352192 0.94 ALDH1A1 (0.39) RXRARXRBRXRGALDH1A1L3MBTL1
SCHEMBL24352189 0.93 RXRA (0.38) RXRARXRBRXRGALDH1A1L3MBTL1
SCHEMBL24926019 0.90 ALDH1A1 (0.36) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2
SCHEMBL19559926 0.88 L3MBTL1 (0.39) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2
SCHEMBL25972576 0.88 ALDH1A1 (0.39) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2
SCHEMBL13779992 0.88 ALDH1A1 (0.39) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2
SCHEMBL23094364 0.88 L3MBTL1 (0.39) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2
SCHEMBL13907746 0.88 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2
SCHEMBL134342 0.88 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2

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-2022059725-A1 POLYMER 三菱ケミカル株式会社 2022-03-24 WO disclosed