SCHEMBL7787265

SCHEMBL7787265

CCOC(=O)C(Cc1ccccc1Br)(C(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
AR P10275 5/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 2/20 0.37
PKM P14618 1/20 0.37
PIN1 Q13526 1/20 0.37
CACNA1D Q01668 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADORA3 P0DMS8 2/20 0.37

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
SCHEMBL7787262 1.00 ALDH1A1 (0.47) ALDH1A1POLBHPGDRAB9AAR
SCHEMBL5861612 0.94 ALDH1A1 (0.50) ALDH1A1POLBHPGDRAB9AAR
SCHEMBL9196067 0.81 CES2 (0.42) ALDH1A1POLBRAB9ARECQLKMT2A
SCHEMBL7444744 0.80 ALDH1A1 (0.54) ALDH1A1POLBHPGDRAB9AAR
SCHEMBL11039515 0.77 ALDH1A1 (0.76) ALDH1A1POLBRAB9AARRECQL
SCHEMBL5632562 0.75 ALDH1A1 (0.51) ALDH1A1POLBARRECQLKMT2A
SCHEMBL7780053 0.74 ALDH1A1 (0.47) ALDH1A1POLBRECQLKMT2AMAPT
SCHEMBL5860161 0.73 POLB (0.49) ALDH1A1POLBRAB9ARECQLKMT2A
SCHEMBL11841515 0.73 ALDH1A1 (0.56) ALDH1A1POLBRAB9AARKMT2A
SCHEMBL27901118 0.72 ALDH1A1 (0.52) ALDH1A1POLBHPGDRAB9AAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140784-A2 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2001-10-10 EP claimed
WO-2000037422-A2 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2000-06-29 WO claimed