SCHEMBL4975415

SCHEMBL4975415

O=C(O)Nc1ccc(NCc2ccc(Br)s2)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
SCD O00767 2/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
IDO1 P14902 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
UTS2R Q9UKP6 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
XBP1 P17861 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.35
EGFR P00533 1/20 0.35

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
SCHEMBL2071657 0.87 KCNQ2 (0.46) MAPTLMNASCDALDH1A1HTT
SCHEMBL27729107 0.84 RAB9A (0.38) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL30796593 0.83 MEN1 (0.39) MEN1KMT2ALMNAALDH1A1UTS2R
SCHEMBL2071916 0.83 MEN1 (0.39) MEN1KMT2ALMNAALDH1A1UTS2R
SCHEMBL27749765 0.83 KDM4E (0.41) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL27729021 0.78 FFAR1 (0.45) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL27728996 0.76 FFAR1 (0.55) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL2072355 0.74 UTS2R (0.46) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL30794874 0.74 UTS2R (0.46) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL27729239 0.72 FFAR1 (0.52) MAPTMEN1KMT2AALDH1A1RAB9A

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-1983974-A1 USE OF KCNQ-OPENERS FOR TREATING OR REDUCING THE SYMPTOMS OF SCHIZOPHRENIA H. Lundbeck A/S (DK) 2008-10-29 EP disclosed
WO-2007090409-A1 USE OF KCNQ-OPENERS FOR THREATING OR REDUCING THE SYMPTOMS OF SCHIZOPHRENIA H. LUNDBECK A/S (DK) 2007-08-16 WO disclosed