SCHEMBL27729239

SCHEMBL27729239

O=C(O)Nc1ccc(NCc2ccc(Cl)s2)cc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.52
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
UTS2R Q9UKP6 1/20 0.37
F2 P00734 1/20 0.37
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
HSD17B10 Q99714 1/20 0.36
PRSS12 P56730 1/20 0.36

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
SCHEMBL27749622 0.87 FFAR1 (0.54) FFAR1RAB9AMAPTMEN1KMT2A
SCHEMBL27729107 0.87 RAB9A (0.38) FFAR1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL2069424 0.82 FFAR1 (0.42) FFAR1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL30795492 0.82 FFAR1 (0.42) FFAR1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL27729309 0.81 FFAR1 (0.66) FFAR1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL27749765 0.76 KDM4E (0.41) FFAR1RAB9AMAPTMEN1KMT2A
SCHEMBL2069986 0.74 KCNQ3 (0.47) FFAR1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL30795429 0.74 KCNQ3 (0.47) FFAR1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL2070740 0.74 SMN1; SMN2 (0.53) FFAR1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL2070657 0.73 FFAR1 (0.47) FFAR1MAPTUTS2RF2L3MBTL1

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
CN-101378742-A Use of KCNQ-openers for treating or alleviating the symptoms of schizophrenia LUNDBECK & CO AS H (DK) 2009-03-04 CN disclosed