SCHEMBL7536762

SCHEMBL7536762

CC(=NNCc1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.66
MEN1 O00255 7/20 0.66
TDP1 Q9NUW8 3/20 0.66
ALDH1A1 P00352 3/20 0.66
MAPT P10636 3/20 0.66
HTT P42858 2/20 0.66
ATM Q13315 1/20 0.66
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C19 P33261 2/20 0.55
NPC1 O15118 1/20 0.55
NFKB1 P19838 1/20 0.55
CASP3 P42574 1/20 0.55
RAB9A P51151 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
LMNA P02545 3/20 0.50

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
SCHEMBL12711610 0.88 LMNA (0.61) KMT2AMEN1TDP1ALDH1A1MAPT
SCHEMBL7536709 0.88 LMNA (0.61) KMT2AMEN1TDP1ALDH1A1MAPT
SCHEMBL23392559 0.85 LMNA (0.55) KMT2AMEN1TDP1ALDH1A1MAPT
SCHEMBL23392557 0.85 LMNA (0.55) KMT2AMEN1TDP1ALDH1A1MAPT
SCHEMBL7530445 0.81 NPC1 (0.60) KMT2AMEN1TDP1ALDH1A1MAPT
SCHEMBL27025915 0.81 ALDH1A1 (0.61) KMT2AMEN1TDP1ALDH1A1MAPT
SCHEMBL7531135 0.79 MEN1 (0.64) KMT2AMEN1TDP1ALDH1A1MAPT
SCHEMBL27286584 0.78 MAPT (0.67) KMT2AMEN1TDP1ALDH1A1MAPT
SCHEMBL7532581 0.78 MAPT (0.59) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL7538405 0.77 SMN1; SMN2 (0.66) KMT2AMEN1ALDH1A1MAPTHTT

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
EP-0912467-B1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE SA (FR) 2002-04-24 EP claimed