SCHEMBL6649296

SCHEMBL6649296

Cc1ccc(C(=O)N[C@H](NC(=S)Nc2ccc(F)cc2)C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.58
KMT2A Q03164 9/20 0.58
LMNA P02545 5/20 0.58
MAPT P10636 3/20 0.58
ALDH1A1 P00352 5/20 0.49
PKM P14618 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALOX12 P18054 3/20 0.45
HPGD P15428 1/20 0.44
CA1 P00915 1/20 0.44
CA9 Q16790 1/20 0.44
PTPN1 P18031 1/20 0.43

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
SCHEMBL4738582 1.00 MEN1 (0.58) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL4684022 0.95 KMT2A (0.63) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL4682172 0.89 MAPT (0.56) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL4679847 0.87 KMT2A (0.60) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL4683858 0.86 ALDH1A1 (0.50) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL4679575 0.84 KCNJ11 (0.53) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL4682188 0.84 ALDH1A1 (0.48) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL4683495 0.84 MAPT (0.51) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL4683467 0.83 ALDH1A1 (0.55) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL4679775 0.82 LMNA (0.53) MEN1KMT2ALMNAMAPTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392655-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2004-03-03 EP disclosed
WO-2002062762-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO disclosed