SCHEMBL4977173

SCHEMBL4977173

N#Cc1cc(C(F)(F)F)ncc1-c1cc(S(=O)(=O)Nc2ccccn2)c(COCCCCO)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 9/20 0.41
BRD4 O60885 3/20 0.37
SCN9A Q15858 5/20 0.36
KDM4E B2RXH2 2/20 0.36
GLA P06280 1/20 0.36
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35
SLC22A11 Q9NSA0 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL4977321 0.78 SLC22A12 (0.41) SLC22A12SCN9ASMN1; SMN2MEN1KMT2A
SCHEMBL2992783 0.75 SCN9A (0.33) SLC22A12BRD4SCN9A
SCHEMBL2995709 0.73 SCN9A (0.33) SLC22A12BRD4SCN9A
SCHEMBL3000160 0.70 AR (0.36) SLC22A12BRD4SCN9A
SCHEMBL2998633 0.68 NR1I2 (0.33)
SCHEMBL2992283 0.67 NR1I2 (0.33) SCN9A
SCHEMBL2995576 0.67 NR1I2 (0.34)
SCHEMBL3000213 0.67 RXRA (0.33) SCN9AHPGDKMT2A
SCHEMBL3338160 0.66 GPBAR1 (0.40)
SCHEMBL3333557 0.66 GPBAR1 (0.41)

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-2008124614-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2008-10-16 WO disclosed