SCHEMBL9819019

SCHEMBL9819019

N#CCC(=O)Nc1ccc(Br)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.66
MEN1 O00255 3/20 0.66
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA9 Q16790 1/20 0.63
HPGD P15428 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
HTT P42858 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
EGFR P00533 1/20 0.49
ALDH1A1 P00352 3/20 0.49
ALOX12 P18054 1/20 0.49
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL11122026 0.90 CA12 (0.73) KMT2AMEN1CA12CA1CA2
SCHEMBL8518202 0.83 CA12 (0.65) KMT2AMEN1CA12CA1CA2
SCHEMBL9206404 0.81 CA12 (0.63) KMT2AMEN1CA12CA1CA2
SCHEMBL9818903 0.81 CA12 (0.63) KMT2AMEN1CA12CA1CA2
SCHEMBL1618221 0.81 ALDH1A1 (0.64) KMT2AMEN1CA12CA1CA2
SCHEMBL6318825 0.81 POLB (0.66) KMT2AMEN1CA12CA1CA2
SCHEMBL1260228 0.81 CA12 (0.63) KMT2AMEN1CA12CA1CA2
SCHEMBL15651789 0.81 CA1 (0.68) KMT2AMEN1CA12CA1CA2
SCHEMBL8626883 0.81 CA12 (0.63) KMT2AMEN1CA12CA1CA2
SCHEMBL1260216 0.81 SMN1; SMN2 (0.62) KMT2AMEN1CA12CA1CA2

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-5034410-A Nitrile and oxo containing amides or thioamides SYNTEX (U.S.A.) INC. (US) 1991-07-23 US disclosed
US-4400507-A FOR COLORING POLYMERS, LACQUERS CIBA-GEIGY CORPORATION (US) 1983-08-23 US disclosed
US-4262120-A YELLOW TO ORANGE SHADES OF GOOD FASTNESS CIBA-GEIGY CORPORATION (US) 1981-04-14 US disclosed