SCHEMBL6209300

SCHEMBL6209300

CCc1ccc(C=O)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.46
PRKDC P78527 1/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A3 P47895 1/20 0.40
TRPA1 O75762 1/20 0.38
HTT P42858 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TYMS P04818 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
SCHEMBL19503931 0.84 LMNA (0.46) LMNAPRKDCSMN1; SMN2MAPTALDH1A1
SCHEMBL2036405 0.82 LMNA (0.39) LMNAPRKDCSMN1; SMN2MAPTALDH1A1
SCHEMBL8459678 0.81 TRPA1 (0.41) LMNASMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL5401095 0.80 ERN1 (0.40) LMNAPRKDCSMN1; SMN2MAPTALDH1A1
SCHEMBL5670692 0.80 TRPA1 (0.38) LMNASMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL5085882 0.79 TRPA1 (0.40) LMNASMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL27893671 0.78 CDK1 (0.41) LMNAPRKDCSMN1; SMN2MAPTALDH1A1
SCHEMBL2704056 0.78 ALDH1A1 (0.45) LMNASMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL28474799 0.77 CALM1 (0.44) LMNAMAPTMEN1KMT2A
SCHEMBL21338176 0.76 TDP1 (0.55) LMNASMN1; SMN2MAPTALDH1A1L3MBTL1

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
EP-1425342-A4 NOVEL SYMMETRICAL SUBSTITUTED BENZALDEHYDE ALDITOL DERIVATIVES AND COMPOSITIONS AND ARTICLES CONTAINING SAME MILLIKEN & CO (US) 2005-01-05 EP disclosed
EP-1425342-A2 NOVEL SYMMETRICAL SUBSTITUTED BENZALDEHYDE ALDITOL DERIVATIVES AND COMPOSITIONS AND ARTICLES CONTAINING SAME Milliken & Company (US) 2004-06-09 EP disclosed
WO-2002077086-A2 NOVEL SYMMETRICAL SUBSTITUTED BENZALDEHYDE ALDITOL DERIVATIVES AND COMPOSITIONS AND ARTICLES CONTAINING SAME MILLIKEN & COMPANY (US) 2002-10-03 WO disclosed