SCHEMBL18597928

SCHEMBL18597928

Cc1noc(-c2ccc(Br)cc2)c1CCSCc1cccc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
BRD4 O60885 2/20 0.39
NPSR1 Q6W5P4 2/20 0.35
KDM4E B2RXH2 1/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 2/20 0.35
USP2 O75604 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
EPHX1 P07099 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TAS2R8 Q9NYW2 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
GSK3B P49841 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL18597716 0.84 FFAR1 (0.48) EPHX1
SCHEMBL1240 0.84 CYP1A2 (0.40) LMNANPSR1RAB9ATSHRMAPT
SCHEMBL18597914 0.81 THRB (0.39) BRD4NPSR1KDM4EMAPTEPHX1
SCHEMBL1306 0.80 LMNA (0.37) LMNABRD4RAB9ATSHRUSP2
SCHEMBL1852 0.80 RXFP1 (0.40) LMNANPSR1MAPTEPHX1ALDH1A1
SCHEMBL1626 0.80 LMNA (0.37) LMNABRD4RAB9ATSHRUSP2
SCHEMBL6841 0.78 CYP1A2 (0.38) LMNANPSR1RAB9ATSHRMAPT
SCHEMBL1627 0.76 EPHX1 (0.41) LMNABRD4EPHX1GSK3BHDAC3
SCHEMBL1307 0.76 EPHX1 (0.41) LMNABRD4EPHX1GSK3BHDAC3
SCHEMBL1853 0.75 EPHX1 (0.41) LMNABRD4RAB9AEPHX1HDAC3

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
EP-2483252-B1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2017-03-08 EP disclosed