SCHEMBL7086280

SCHEMBL7086280

O=[N+]([O-])c1cccc(S(=O)(=O)NC2CCC(Nc3ccnc4cc(Cl)ccc34)CC2)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT5B Q4FZB7 2/20 0.53
KMT5C Q86Y97 2/20 0.53
NSD2 O96028 1/20 0.50
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MITF O75030 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
WNK1 Q9H4A3 2/20 0.37
CYP1A2 P05177 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL6869796 0.93 KMT5B (0.54) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL6869795 0.93 KMT5B (0.54) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL6867916 0.87 KMT5B (0.58) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL6867912 0.87 KMT5B (0.58) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL6869551 0.84 KMT5B (0.55) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL6869556 0.84 KMT5B (0.55) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL6867240 0.84 KMT5B (0.57) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL6867243 0.84 KMT5B (0.57) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL6866553 0.83 KMT5B (0.61) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL6866551 0.83 KMT5B (0.61) KMT5BKMT5CNSD2CYP2D6CYP2C19

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-2003070244-A1 ANTAGONIST OF MELANIN CONCENTRATING HORMONE AND THEIR USES ABBOTT LABORATORIES (US) 2003-08-28 WO disclosed