SCHEMBL4744284

SCHEMBL4744284

O=C1CSC(c2ccc(Oc3ccc(Cl)cc3)cc2)(c2cccc(Cl)c2)N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MAPK1 P28482 1/20 0.47
ADAMTS5 Q9UNA0 1/20 0.39
MAOB P27338 4/20 0.36
MAOA P21397 3/20 0.36
LMNA P02545 3/20 0.36
MEN1 O00255 2/20 0.36
PLA2G1B P04054 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
MMP13 P45452 2/20 0.35
MMP14 P50281 1/20 0.35
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
NAAA Q02083 1/20 0.33
KDM4E B2RXH2 1/20 0.33
FFAR1 O14842 1/20 0.32

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
SCHEMBL4808531 0.85 ATM (0.41) KMT2AMAPK1ADAMTS5MAOBMAOA
SCHEMBL4806238 0.79 NTRK1 (0.39) KMT2AMAPK1ADAMTS5MEN1HTT
SCHEMBL8103222 0.68 KDM1A (0.41) KMT2AMEN1MAPT
SCHEMBL29349910 0.64 MAOA (0.52) KMT2AMAOBMAOALMNAMEN1
SCHEMBL3716891 0.64 MAOA (0.52) KMT2AMAOBMAOALMNAMEN1
SCHEMBL11833712 0.62 MMP13 (0.42) KMT2AADAMTS5MEN1MMP13MMP14
SCHEMBL6686421 0.61 GFER (0.47) ADAMTS5MAOBMAOAHPGDMMP13
SCHEMBL10715309 0.60 MAPT (0.54) KMT2AMAOBMEN1MMP13ALDH1A1
SCHEMBL16890736 0.60 ALDH1A1 (0.60) KMT2AMAOBMAOALMNAMEN1
SCHEMBL4436971 0.60 CNR1 (0.46) KMT2ALMNAMEN1POLBHPGD

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
WO-2008112674-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-09-18 WO disclosed