SCHEMBL14416441

SCHEMBL14416441

CC(C)(C)OC(=O)NCCNC(=O)Cc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cn2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.43
KIT P10721 1/20 0.42
IDH1 O75874 2/20 0.41
MLNR O43193 1/20 0.41
NR1I2 O75469 1/20 0.41
ABCB11 O95342 1/20 0.41
PGR P06401 1/20 0.41
CTSD P07339 1/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
PGA5 P0DJD9 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CTSE P14091 1/20 0.41
GABRA1 P14867 1/20 0.41
ADRA2C P18825 1/20 0.41
DRD1 P21728 1/20 0.41
HTR2A P28223 1/20 0.41
AGTR1 P30556 1/20 0.41
CCKAR P32238 1/20 0.41
ADRA1A P35348 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
SCHEMBL14416436 0.81 MLNR (0.46) KITIDH1MLNRNR1I2ABCB11
SCHEMBL14416437 0.80 PPARG (0.47) KITIDH1MLNRNR1I2ABCB11
SCHEMBL7761716 0.73 MAPT (0.53) KITIDH1TP53MAPTCA1
SCHEMBL8399573 0.71 GPR119 (0.53) PPARGNAMPT
SCHEMBL14679447 0.70 POLB (0.53) TP53MAPTKMT2AMEN1
SCHEMBL5597568 0.69 KIT (0.53) KITIDH1MLNRNR1I2ABCB11
SCHEMBL14416440 0.67 MLNR (0.52) KITIDH1MLNRNR1I2ABCB11
SCHEMBL14420639 0.67 MLNR (0.51) KITMLNRNR1I2ABCB11PGR
SCHEMBL14679372 0.66 MAPT (0.56) TP53MAPTCA1CA2KMT2A
SCHEMBL14679129 0.66 MAPT (0.53) TP53MAPTCA1CA2KMT2A

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-20070218486-A1 Immunoassays, Haptens, Immunogens and Antibodies for Anti-HIV Therapeutics ARK DIAGNOSTICS, INC. (US) 2007-09-20 US disclosed