SCHEMBL8316833

SCHEMBL8316833

O=C(O)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.61
PKM P14618 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
JAK2 O60674 3/20 0.60
JAK1 P23458 3/20 0.60
TYK2 P29597 2/20 0.60
ALDH1A1 P00352 3/20 0.59
TP53 P04637 1/20 0.59
TSHR P16473 1/20 0.59
CASP1 P29466 1/20 0.59
LMNA P02545 1/20 0.58
POLB P06746 1/20 0.58
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
GAA P10253 1/20 0.56
TAS1R3 Q7RTX0 1/20 0.56

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
SCHEMBL7341264 0.91 TSHR (0.68) SMN1; SMN2JAK2JAK1TYK2TSHR
SCHEMBL11775702 0.87 ALDH1A1 (0.58) SMN1; SMN2PKMRXFP1JAK2JAK1
SCHEMBL29929613 0.85 JAK2 (0.78) SMN1; SMN2PKMRXFP1JAK2JAK1
SCHEMBL11468587 0.84 ALDH1A1 (0.68) SMN1; SMN2ALDH1A1TP53TSHRLMNA
SCHEMBL20601659 0.83 HDAC8 (0.67) SMN1; SMN2PKMRXFP1JAK2JAK1
SCHEMBL4253890 0.83 MEN1 (0.68) PKMJAK2JAK1TYK2LMNA
SCHEMBL12700230 0.81 ALDH1A1 (0.64) SMN1; SMN2PKMALDH1A1NPC1RAB9A
SCHEMBL10612716 0.81 TMPRSS4 (0.73) SMN1; SMN2PKMRXFP1JAK2JAK1
SCHEMBL11575433 0.80 ALDH1A1 (0.63) SMN1; SMN2PKMRXFP1JAK2JAK1
SCHEMBL6005591 0.80 JAK2 (0.69) SMN1; SMN2PKMRXFP1JAK2JAK1

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-0636625-B1 Tricyclic diazepines vasopressin and oxytocin antagonists AMERICAN CYANAMID CO (US) 1999-01-27 EP disclosed