SCHEMBL8942474

SCHEMBL8942474

Cc1cc(=O)n(CN(C)C)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 10/20 0.37
ALDH1A1 P00352 8/20 0.37
MAPT P10636 5/20 0.37
KMT2A Q03164 4/20 0.37
GAA P10253 2/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
ALPL P05186 3/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ENPP3 O14638 2/20 0.35
XIAP P98170 2/20 0.35
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
NOX4 Q9NPH5 1/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 2/20 0.32
ALKBH3 Q96Q83 1/20 0.31
DAO P14920 1/20 0.31

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
SCHEMBL6850809 0.77
SCHEMBL11751479 0.73 L3MBTL1 (0.56) L3MBTL1KDM4EALDH1A1MAPTKMT2A
SCHEMBL23402299 0.72 L3MBTL1 (0.46) L3MBTL1KDM4EALDH1A1MAPTKMT2A
SCHEMBL6005236 0.72 L3MBTL1 (0.54) L3MBTL1KDM4EALDH1A1MAPTKMT2A
SCHEMBL10881056 0.72 L3MBTL1 (0.54) L3MBTL1KDM4EALDH1A1MAPTKMT2A
SCHEMBL11335008 0.71 L3MBTL1 (0.45) L3MBTL1KDM4EALDH1A1MAPTKMT2A
SCHEMBL11782320 0.71 L3MBTL1 (0.61) L3MBTL1KDM4EALDH1A1MAPTKMT2A
SCHEMBL9698733 0.71 L3MBTL1 (0.49) L3MBTL1KDM4EALDH1A1MAPTKMT2A
SCHEMBL11651503 0.69 L3MBTL1 (0.44) L3MBTL1KDM4EALDH1A1MAPTKMT2A
SCHEMBL383463 0.69 L3MBTL1 (0.59) L3MBTL1KDM4EALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5541299-A Process for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-07-30 US claimed
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