SCHEMBL8960702

SCHEMBL8960702

CC1(C)CC(Nc2cc(NC3CC(C)(C)NC(C)(C)C3)nc(NC3CC(C)(C)NC(C)(C)C3)n2)CC(C)(C)N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.48
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
PKM P14618 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
RAD52 P43351 1/20 0.44
GFER P55789 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.42
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
MAPK14 Q16539 2/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
EHMT2 Q96KQ7 1/20 0.39

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
SCHEMBL3079982 0.85 ALDH1A1 (0.47) KCNH2ALDH1A1LMNAPKML3MBTL1
SCHEMBL9070182 0.85 KCNH2 (0.47) KCNH2ALDH1A1LMNAPKML3MBTL1
SCHEMBL21895098 0.79 ALDH1A1 (0.42) KCNH2ALDH1A1LMNAPKML3MBTL1
SCHEMBL21895102 0.79 ALDH1A1 (0.42) KCNH2ALDH1A1LMNAPKML3MBTL1
SCHEMBL8708517 0.77 PDE4A (0.44) KCNH2ALDH1A1LMNAPKML3MBTL1
SCHEMBL3137076 0.77 ALDH1A1 (0.41) KCNH2ALDH1A1LMNAPKML3MBTL1
SCHEMBL21894684 0.77 ALDH1A1 (0.41) KCNH2ALDH1A1LMNAPKML3MBTL1
SCHEMBL4602867 0.77 PDE4A (0.47) KCNH2ALDH1A1LMNAPKML3MBTL1
SCHEMBL10405253 0.77 ALDH1A1 (0.45) KCNH2ALDH1A1LMNAPKML3MBTL1
SCHEMBL8838292 0.77 ALDH1A1 (0.41) KCNH2ALDH1A1LMNAPKML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5571899-A DYEING PLASTICS, LACQUERS, INKS, LIGHTFASTNESS, WEATHER RESISTANCE SANDOZ, LTD. (CH) 1996-11-05 US claimed
US-5510467-A EXCELLENT AS PIGMENTS, USEFUL FOR DYEING SOLVENT-FREE OR SOLVENT CONTAINING PLASTICS SANDOZ LTD. (CH) 1996-04-23 US claimed