SCHEMBL11345138

SCHEMBL11345138

Cc1ccc2c(c1)OCC(c1ccccc1)N2

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.50
AR P10275 1/20 0.41
MAOB P27338 3/20 0.40
KIF11 P52732 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALDH2 P05091 1/20 0.40
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
GLA P06280 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
ALOX15B O15296 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 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
SCHEMBL11341890 0.88 CYP19A1 (0.49) CYP19A1ARMAOBKIF11ALDH1A1
SCHEMBL11329961 0.85 MAPT (0.40) CYP19A1ALDH1A1MEN1KMT2AGAA
SCHEMBL11327485 0.83 MAOB (0.44) CYP19A1MAOBALDH1A1MEN1KMT2A
SCHEMBL11345128 0.82 CYP19A1 (0.36) CYP19A1MAOBALDH1A1GAAKDM4E
SCHEMBL11334202 0.81 CYP19A1 (0.47) CYP19A1MAOBMEN1KMT2AGAA
SCHEMBL6436184 0.80 MEN1 (0.49) CYP19A1ARALDH1A1MEN1KMT2A
SCHEMBL29903416 0.80 MEN1 (0.49) CYP19A1ARALDH1A1MEN1KMT2A
SCHEMBL5451243 0.80 MEN1 (0.49) CYP19A1ARALDH1A1MEN1KMT2A
SCHEMBL9845271 0.76 AR (0.41) CYP19A1ARALDH1A1MEN1KMT2A
SCHEMBL20888295 0.74 CYP19A1 (0.38) CYP19A1ALDH1A1MEN1KMT2AGAA

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
US-4288589-A Cationic dyes CIBA-GEIGY CORPORATION (US) 1981-09-08 US disclosed