SCHEMBL18763391

SCHEMBL18763391

CCCCn1c2ccccc2c2cc(C(c3ccc(Nc4ccccc4C)cc3)c3ccc(Nc4ccccc4C)cc3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORA P35398 7/20 0.49
RORC P51449 7/20 0.49
RORB Q92753 7/20 0.49
PGR P06401 6/20 0.44
NPC1 O15118 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CNR2 P34972 6/20 0.41
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL3740935 0.84 RORA (0.52) RORARORCRORBPGRNPC1
SCHEMBL398421 0.76 RORA (0.50) RORARORCRORBPGRNPC1
SCHEMBL29576546 0.76 RORA (0.50) RORARORCRORBPGRNPC1
SCHEMBL14947364 0.71 PGR (0.74) RORARORCRORBPGRNPC1
SCHEMBL253310 0.70 MAPT (0.63) MEN1KMT2ALMNAMAPT
SCHEMBL1335135 0.70 PGR (0.73) RORARORCRORBPGRCNR2
SCHEMBL29531665 0.70 PGR (0.73) RORARORCRORBPGRCNR2
SCHEMBL3156176 0.70 MAPT (0.58) RORCMEN1KMT2ALMNAMAPT
SCHEMBL11274169 0.68 CNR2 (0.54) NPC1CNR2
SCHEMBL1921229 0.67 RORA (0.56) RORARORCRORBPGRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10718089-B2 CF paper PAPIERFABRIK AUGUST KOEHLER SE (DE) 2020-07-21 US disclosed
US-20170114502-A1 CF PAPER PAPIERFABRIK AUGUST KOEHLER SE (DE) 2017-04-27 US disclosed