SCHEMBL5646644

SCHEMBL5646644

CC(NC(=O)c1ccc(I)cc1)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.53
NR1H4 Q96RI1 1/20 0.52
HTT P42858 1/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
NPC1 O15118 1/20 0.51
ACACB O00763 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
TAS1R3 Q7RTX0 2/20 0.48
TAS1R1 Q7RTX1 2/20 0.48
PRSS12 P56730 1/20 0.47
B3GNT2 Q9NY97 2/20 0.47

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
SCHEMBL2408988 0.86 HDAC8 (0.56) GPR139NR1H4HTTALDH1A1SMN1; SMN2
SCHEMBL31498841 0.84 GPR139 (0.72) GPR139NR1H4HTTALDH1A1SMN1; SMN2
SCHEMBL5643762 0.84 ALDH1A1 (0.71) GPR139NR1H4HTTALDH1A1SMN1; SMN2
SCHEMBL7676189 0.84 SMN1; SMN2 (0.71) GPR139NR1H4ALDH1A1SMN1; SMN2LMNA
SCHEMBL1922928 0.84 SMN1; SMN2 (0.71) GPR139NR1H4ALDH1A1SMN1; SMN2LMNA
SCHEMBL507574 0.82 ALDH1A1 (0.58) GPR139NR1H4HTTALDH1A1SMN1; SMN2
SCHEMBL3031481 0.82 CYP1A2 (0.58) GPR139NR1H4HTTALDH1A1SMN1; SMN2
SCHEMBL507256 0.82 ALDH1A1 (0.58) GPR139NR1H4HTTALDH1A1SMN1; SMN2
SCHEMBL507255 0.82 ALDH1A1 (0.58) GPR139NR1H4HTTALDH1A1SMN1; SMN2
SCHEMBL3109453 0.80 ROCK1 (0.75) GPR139KMT2AMEN1CYP1A2CYP2C9

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-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 US disclosed