SCHEMBL16579477

SCHEMBL16579477

Cc1c(C(=O)O)nn(-c2ccccc2Cl)c1-c1nnc(-c2cccc(S(C)(=O)=O)c2)o1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.46
NR1H2 P55055 5/20 0.46
NR1H3 Q13133 5/20 0.46
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
ATR Q13535 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MYC P01106 1/20 0.40
CNR1 P21554 1/20 0.40
LMNA P02545 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
SCHEMBL16455382 0.92 RXRA (0.47) RXRANR1H2NR1H3NPC1ALDH1A1
SCHEMBL16455251 0.90 RXRA (0.46) RXRANR1H2NR1H3NPC1ALDH1A1
SCHEMBL16455383 0.84 RXRA (0.53) RXRANR1H2NR1H3NPC1ALDH1A1
SCHEMBL16455474 0.84 NR1H2 (0.46) RXRANR1H2NR1H3NPC1ALDH1A1
SCHEMBL16455631 0.82 RXRA (0.52) RXRANR1H2NR1H3NPC1ALDH1A1
SCHEMBL16455632 0.82 NR1H2 (0.44) RXRANR1H2NR1H3NPC1ALDH1A1
SCHEMBL15229733 0.81 RXRA (0.56) RXRANR1H2NR1H3NPC1ALDH1A1
SCHEMBL16455485 0.81 ALDH1A1 (0.39) RXRANR1H2NR1H3NPC1ALDH1A1
SCHEMBL16455255 0.81 NR1H2 (0.48) RXRANR1H2NR1H3NPC1ALDH1A1
SCHEMBL16452679 0.80 NPC1 (0.49) NPC1ALDH1A1RAB9ACA1CA2

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-8987318-B2 Liver X receptor (LXR) modulators for the treatment of dermal diseases, disorders and conditions ALEXAR THERAPEUTICS, INC. (US) 2015-03-24 US disclosed