SCHEMBL8942317

SCHEMBL8942317

CCN(CC)c1cccc(NC(N)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
ALDH1A1 P00352 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPK1 P28482 3/20 0.54
NOX1 Q9Y5S8 2/20 0.54
TP53 P04637 2/20 0.54
USP2 O75604 1/20 0.54
PKM P14618 1/20 0.54
TSHR P16473 1/20 0.54
MCL1 Q07820 1/20 0.54
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
CYP3A4 P08684 1/20 0.50
HDAC4 P56524 2/20 0.45
MEF2D Q14814 2/20 0.45
LMNA P02545 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44

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
SCHEMBL27389810 0.86 HDAC4 (0.46) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL29594409 0.85 ALDH1A1 (0.58) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL697935 0.85 ALDH1A1 (0.58) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL10889826 0.85 MEN1 (0.41) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL30400187 0.84 RAB9A (0.61) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL9408526 0.84 RAB9A (0.61) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL11059911 0.84 CA12 (0.48) MAPTALDH1A1MAPK1TP53NPC1
SCHEMBL8883584 0.83 PARP1 (0.43) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL11420893 0.83 ALDH1A1 (0.52) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL9188656 0.83 MAPT (0.69) MAPTALDH1A1MEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5578711-A Process for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-11-26 US disclosed
US-5541299-A Process for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-07-30 US disclosed
US-5502171-A Process for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-03-26 US disclosed
EP-0446731-B1 Process for the manufacture of azo dyes BAYER AG (DE) 1995-05-03 EP disclosed
EP-0446731-A2 Process for the manufacture of azo dyes BAYER AG (DE) 1991-09-18 EP disclosed
US-4189427-A Azo dyestuffs from benzene diazo component fused to an aliphatic ring and containing two cyano substituents ortho to the azo group BAYER AKTIENGESELLSCHAFT (DE) 1980-02-19 US disclosed
US-4048154-A POLYAMIDE FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1977-09-13 US disclosed