SCHEMBL9115535

SCHEMBL9115535

CC(C)(N)C(=O)c1ccc(N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
MAPT P10636 2/20 0.44
MAOA P21397 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
EPHX2 P34913 1/20 0.42
APEX1 P27695 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTGS1 P23219 2/20 0.42
CYP19A1 P11511 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
PARP10 Q53GL7 1/20 0.41
ESRRG P62508 1/20 0.40

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
SCHEMBL1176747 0.84 LMNA (0.45) LMNACYP1A2CYP3A4MAPTMAOA
SCHEMBL4877049 0.82 LMNA (0.44) LMNACYP1A2CYP3A4MAPTMAOA
SCHEMBL7991415 0.82 CA2 (0.59) LMNAMAPTNPC1RAB9AMEN1
SCHEMBL3128827 0.80 CES2 (0.50) LMNACYP1A2MAPTNPC1RAB9A
SCHEMBL5698489 0.80 CES1 (0.50) CYP1A2MAPTNPC1RAB9ACA2
SCHEMBL4876868 0.80 LMNA (0.42) LMNACYP1A2CYP3A4MAPTMAOA
SCHEMBL1851024 0.79 CES1 (0.60) LMNAAPEX1MEN1POLBPKM
SCHEMBL3134419 0.79 CES1 (0.60) CYP3A4MAPTPOLBKMT2ATDP1
Hydrochloric Acid SCHEMBL317255 0.78 CES2 (0.48) LMNAMAPTNPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL28253028 0.77 CES1 (0.58) LMNAAPEX1MEN1POLBPKM

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-0482508-B1 Biscationic azo dyes and their intermediates BASF AG (DE) 1995-07-12 EP disclosed
US-5424404-A Colorfastness, discoloration inhibition, red and yellow color; coloring paper, leather, printing on polymeric material BASF AKTIENGESELLSCHAFT (DE) 1995-06-13 US disclosed
EP-0482508-A1 Biscationic azo dyes and their intermediates BASF Aktiengesellschaft (DE) 1992-04-29 EP disclosed