SCHEMBL9435241

SCHEMBL9435241

Cc1cc(C(=O)NCCO)ccc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.55
POLB P06746 2/20 0.55
HTT P42858 1/20 0.55
MMP13 P45452 1/20 0.51
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 1/20 0.46
CHRNA1 P02708 1/20 0.46
CHRNG P07510 1/20 0.46
CHRNB1 P11230 1/20 0.46
CHRNB2 P17787 1/20 0.46
SLC6A2 P23975 1/20 0.46
CHRNB4 P30926 1/20 0.46
SLC6A4 P31645 1/20 0.46

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
SCHEMBL14054114 0.86 CA1 (0.54) HPGDPOLBALDH1A1CA1CA2
SCHEMBL9996871 0.86 HPGD (0.48) HPGDPOLBALDH1A1L3MBTL1KMT2A
SCHEMBL16888470 0.85 POLB (0.60) HPGDPOLBHTTMMP13ALDH1A1
SCHEMBL9300437 0.84 HPGD (0.60) HPGDALDH1A1KMT2ATP53
SCHEMBL7886628 0.84 HPGD (0.57) HPGDPOLBHTTALDH1A1KDM4E
SCHEMBL13753881 0.83 HPGD (0.51) HPGDALDH1A1L3MBTL1KMT2ACHRNA1
SCHEMBL4162822 0.83 SMN1; SMN2 (0.57) HPGDHTTALDH1A1KDM4ETP53
SCHEMBL12760708 0.83 SMN1; SMN2 (0.57) HPGDHTTALDH1A1KMT2ACHRNA1
SCHEMBL12553794 0.82 HPGD (0.57) HPGDPOLBHTTMMP13ALDH1A1
SCHEMBL9668044 0.82 ESRRG (0.60) HPGDPOLBHTTMMP13ALDH1A1

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
WO-1994015920-A1 BENZANILIDE DERIVATIVES AS 5-HT1D-ANTAGONISTS GLAXO GROUP LIMITED (GB) 1994-07-21 WO disclosed