SCHEMBL11250433

SCHEMBL11250433

CCCCCCCCc1ccc(N(c2ccc(CCCCCCCC)cc2)C2(c3c(C)n(CC)c4ccccc34)OC(=O)c3nccnc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORA P35398 1/20 0.36
RORC P51449 1/20 0.36
RORB Q92753 1/20 0.36
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
PLA2G2A P14555 1/20 0.33
NPY5R Q15761 1/20 0.33
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PLA2G4A P47712 1/20 0.31
CNR2 P34972 2/20 0.31
CNR1 P21554 1/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CTSV O60911 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
SCHEMBL11245349 0.90 GSK3A (0.36) RORARORCRORBGSK3AGSK3B
SCHEMBL11235510 0.89 RORA (0.36) RORARORCRORBGSK3AGSK3B
SCHEMBL11236537 0.87 GSK3A (0.39) GSK3AGSK3BALDH1A1KDM4ELMNA
SCHEMBL11063409 0.83 RORA (0.38) RORARORCRORBPLA2G2AALDH1A1
SCHEMBL11253082 0.83 SMN1; SMN2 (0.40) GSK3AGSK3BALDH1A1KDM4ESMN1; SMN2
SCHEMBL11067919 0.78 RORA (0.43) RORARORCRORBPLA2G2AALDH1A1
SCHEMBL11249686 0.77 TRPV1 (0.34) ALDH1A1HPGDCNR2KMT2A
SCHEMBL11239963 0.77 CNR2 (0.36) ALDH1A1LMNAHPGDCNR2MEN1
SCHEMBL11239203 0.77 GSK3A (0.42) GSK3AGSK3BNPY5RALDH1A1KDM4E
SCHEMBL11242383 0.76 GSK3A (0.38) GSK3AGSK3BNPY5RALDH1A1KDM4E

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
US-4337340-A FROM DIPHENYLAMINES AND BENZOYL OR 3-INDOLYLCARBONYL PYRIDINE- OR PYRAZINECARBOXYLIC ACIDS STERLING DRUG INC. (US) 1982-06-29 US disclosed
US-4243250-A FUROPYRIDINONES OR FUROPYRAZINONES AS COLOR FORMERS STERLING DRUG INC. (US) 1981-01-06 US disclosed
US-4211872-A COLOR FORMERS FREEDOM CHEMICAL COMPANY 1980-07-08 US disclosed