SCHEMBL8812409

SCHEMBL8812409

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ccccc3OCc3ccc(CCO)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
SGMS2 Q8NHU3 1/20 0.43
RECQL P46063 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
CYP19A1 P11511 1/20 0.40
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40

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
SCHEMBL7379127 0.93 GAA (0.44) GAASGMS2RECQLMEN1KMT2A
SCHEMBL7376600 0.92 RXRA (0.48) GAASGMS2RECQLMEN1KMT2A
SCHEMBL7372095 0.90 GAA (0.42) GAASGMS2RECQLMEN1KMT2A
SCHEMBL7368652 0.88 RECQL (0.48) GAARECQLMEN1KMT2AMAPT
SCHEMBL7369621 0.87 SGMS2 (0.55) GAASGMS2MEN1KMT2ANPC1
SCHEMBL7372435 0.87 RECQL (0.46) GAARECQLMEN1KMT2AMAPT
SCHEMBL7378156 0.86 LRRK2 (0.48) GAASGMS2MEN1KMT2AMAPT
SCHEMBL7375995 0.86 CYP19A1 (0.51) GAASGMS2RECQLMEN1KMT2A
SCHEMBL7373554 0.86 RECQL (0.46) GAARECQLMEN1KMT2AMAPT
SCHEMBL7374059 0.86 EGFR (0.46) MAPTSMN1; SMN2

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
EP-0757670-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed