SCHEMBL27749765

SCHEMBL27749765

Cc1cc(NCc2ccc(Br)s2)ccc1NC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
GAA P10253 3/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 2/20 0.41
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TP53 P04637 1/20 0.38
PKM P14618 2/20 0.38
EGFR P00533 1/20 0.37
APEX1 P27695 1/20 0.37
FFAR1 O14842 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
SCHEMBL27729107 0.88 RAB9A (0.38) KDM4EGAAMAPTALDH1A1TDP1
SCHEMBL27749539 0.87 GAA (0.51) KDM4EGAAMAPTALDH1A1TDP1
SCHEMBL2069410 0.84 KDR (0.46) GAAMAPTALDH1A1RAB9AMEN1
SCHEMBL4975415 0.83 MAPT (0.38) KDM4EGAAMAPTALDH1A1POLB
SCHEMBL27729021 0.82 FFAR1 (0.45) KDM4EGAAMAPTALDH1A1RAB9A
SCHEMBL27729067 0.77 KDM4C (0.50) POLBMEN1KMT2A
SCHEMBL27729239 0.76 FFAR1 (0.52) KDM4EGAAMAPTALDH1A1TDP1
SCHEMBL3099291 0.76 KCNQ2 (0.62) KDM4EMAPTALDH1A1TDP1RAB9A
SCHEMBL30795564 0.76 KCNQ3 (0.46) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL30795741 0.76 KCNQ2 (0.62) KDM4EMAPTALDH1A1TDP1RAB9A

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