SCHEMBL11697644

SCHEMBL11697644

O=C(O)c1ccc(C(=Cc2ccccc2)c2c[nH]nn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CYP19A1 P11511 2/20 0.38
CYP11B2 P19099 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GLA P06280 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DAO P14920 1/20 0.36
TSHR P16473 1/20 0.36
NAPRT Q6XQN6 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
SCHEMBL1690453 0.90 CYP19A1 (0.47) ESR1MAPTMEN1KMT2ACYP19A1
SCHEMBL11546766 0.85 ESR1 (0.40) ESR1MEN1KMT2ACYP19A1CYP11B2
SCHEMBL11699124 0.76 ESR1 (0.64) ESR1MAPTMEN1KMT2ANPSR1
SCHEMBL11767544 0.76 AKR1C1 (0.51) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL11403405 0.76 NFE2L2 (0.34) MEN1KMT2ANPSR1CA1CA2
SCHEMBL10790252 0.76 KMT2A (0.46) MAPTMEN1KMT2ANPSR1NPC1
SCHEMBL11087246 0.73 MTNR1A (0.43) MAPTMEN1KMT2ANPSR1CYP19A1
SCHEMBL10503149 0.73 NFE2L2 (0.46) MAPTMEN1KMT2ANPSR1NPC1
SCHEMBL10664614 0.70 CYP24A1 (0.38) MAPTMEN1KMT2ANPSR1NPC1
SCHEMBL10969706 0.70 MEN1 (0.41) MAPTMEN1KMT2ANPSR1ALDH1A1

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-4017483-A OPTICAL BRIGHTENERS CIBA-GEIGY CORPORATION (US) 1977-04-12 US disclosed