SCHEMBL3740935

SCHEMBL3740935

CCCCn1c2ccccc2c2cc(C(c3ccc(NC)cc3)c3ccc(NC)cc3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORA P35398 5/20 0.52
RORC P51449 5/20 0.52
RORB Q92753 5/20 0.52
PGR P06401 4/20 0.46
NPC1 O15118 3/20 0.46
CNR2 P34972 9/20 0.46
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CNR1 P21554 1/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL18763391 0.84 RORA (0.49) RORARORCRORBPGRNPC1
SCHEMBL398421 0.81 RORA (0.50) RORARORCRORBPGRNPC1
SCHEMBL29576546 0.81 RORA (0.50) RORARORCRORBPGRNPC1
SCHEMBL253310 0.75 MAPT (0.63) ALDH1A1KDM4EMEN1LMNAMAPT
SCHEMBL1335135 0.75 PGR (0.73) RORARORCRORBPGRCNR2
SCHEMBL29531665 0.75 PGR (0.73) RORARORCRORBPGRCNR2
SCHEMBL3156176 0.74 MAPT (0.58) RORCALDH1A1KDM4EMEN1LMNA
SCHEMBL14947364 0.73 PGR (0.74) RORARORCRORBPGRNPC1
SCHEMBL22722809 0.72 ALDH1A1 (0.58) RORARORCRORBPGRNPC1
SCHEMBL10945941 0.72 ALDH1A1 (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100279079-A1 LASER-SENSITIVE RECORDING MATERIALS HAVING AN UNDERCOATING LAYER DATALASE LTD. (GB) 2010-11-04 US disclosed