SCHEMBL11089928

SCHEMBL11089928

O=C(c1ccccc1F)c1cc(Cl)ccc1-c1ccccc1CBr

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
KMT2A Q03164 3/20 0.41
KCNMA1 Q12791 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
RECQL P46063 1/20 0.40
CNR1 P21554 2/20 0.40
PPIA P62937 1/20 0.40
MEN1 O00255 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL11085109 0.87 TP53 (0.44) KMT2AMEN1ALDH1A1MAPTALOX15
SCHEMBL11076174 0.82 CYP2C8 (0.50) KMT2AMEN1ALDH1A1RAB9ASMN1; SMN2
Maleic Acid SCHEMBL11085674 0.78 SLC6A2 (0.41) L3MBTL1
Fumaric Acid SCHEMBL11085704 0.78 SLC6A2 (0.41) L3MBTL1
SCHEMBL11090007 0.77 ERN1 (0.44) L3MBTL1KCNMA1CHRM2CHRM4CHRM5
SCHEMBL4441884 0.77 RECQL (0.49) L3MBTL1KMT2ARECQLMEN1ALDH1A1
SCHEMBL611188 0.75 RECQL (0.58) L3MBTL1KMT2AKCNMA1RECQLPPIA
SCHEMBL11646628 0.74 KCNMA1 (0.60) KMT2AKCNMA1RECQLMEN1ALDH1A1
SCHEMBL333224 0.74 RECQL (0.71) L3MBTL1KMT2AKCNMA1RECQLPPIA
SCHEMBL29515875 0.74 RECQL (0.71) L3MBTL1KMT2AKCNMA1RECQLPPIA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4434100-A TRANQUILIZING, ANTICONVULSANTS, ANXIOLYTIC CIBA-GEIGY CORPORATION (US) 1984-02-28 US disclosed
US-4356176-A TRANQUILIZERS, ANTICONVULSANT CIBA-GEIGY CORPORATION (US) 1982-10-26 US disclosed
US-4315926-A ANXIOLYTIC AGENTS CIBA-GEIGY CORPORATION (US) 1982-02-16 US disclosed