SCHEMBL7082382

SCHEMBL7082382

O=S(=O)(NC1CCC(Nc2ccnc3cc(Cl)ccc23)CC1)c1c(Cl)cc(Cl)cc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT5B Q4FZB7 2/20 0.54
KMT5C Q86Y97 2/20 0.54
NSD2 O96028 1/20 0.52
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CNR1 P21554 3/20 0.39
CNR2 P34972 2/20 0.39
JAK2 O60674 1/20 0.38
ABL1 P00519 1/20 0.38
NTRK1 P04629 1/20 0.38
RET P07949 1/20 0.38

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
SCHEMBL6861719 0.90 KMT5B (0.63) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL6861714 0.90 KMT5B (0.63) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL6866595 0.89 KMT5B (0.56) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL6866590 0.89 KMT5B (0.56) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL6873014 0.85 KMT5B (0.57) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL6873010 0.85 KMT5B (0.57) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL6867709 0.82 KMT5B (0.63) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL6867708 0.82 KMT5B (0.63) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL6872817 0.82 KMT5B (0.57) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL6872815 0.82 KMT5B (0.57) 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