SCHEMBL3265083

SCHEMBL3265083

CC1=C(C(=O)NCc2ccccc2)C(c2cccc3ccccc23)n2nnnc2N1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
TSHR P16473 1/20 0.56
MAPT P10636 2/20 0.55
ALDH1A1 P00352 7/20 0.55
THRB P10828 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 1/20 0.53
GAA P10253 1/20 0.52
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
POLB P06746 2/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL2995933 0.92 MAPT (0.53) KDM4ETSHRMAPTALDH1A1THRB
SCHEMBL2997377 0.87 MAPT (0.52) MAPTALDH1A1THRBSMN1; SMN2TP53
SCHEMBL17703955 0.87 ALDH1A1 (0.64) KDM4ETSHRMAPTALDH1A1TP53
SCHEMBL3115427 0.85 ALDH1A1 (0.57) MAPTALDH1A1THRBSMN1; SMN2TP53
SCHEMBL3243075 0.85 MAPT (0.56) MAPTALDH1A1THRBSMN1; SMN2TP53
SCHEMBL3248337 0.85 ALDH1A1 (0.75) MAPTALDH1A1THRBSMN1; SMN2TP53
SCHEMBL3265207 0.83 ALDH1A1 (0.67) TSHRMAPTALDH1A1THRBSMN1; SMN2
SCHEMBL2998468 0.83 MAPT (0.54) MAPTALDH1A1THRBSMN1; SMN2TP53
SCHEMBL3005598 0.83 MAPT (0.54) MAPTALDH1A1THRBSMN1; SMN2TP53
SCHEMBL3005531 0.81 ALDH1A1 (0.55) MAPTALDH1A1THRBSMN1; SMN2LMNA

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
WO-2010002483-A1 OPTIONALLY CONDENSED DIHYDRO PYRIDINE, DIHYDROPYRIMIDINE AND DIHYDRO PYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS CV THERAPEUTICS, INC. (US) 2010-01-07 WO disclosed
WO-2009006580-A1 OPTIONALLY CONDENSED DIHYDROPYRIDINE, DIHYDROPYRIMIDINE AND DIHYDROPYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS CV THERAPEUTICS, INC. (US) 2009-01-08 WO disclosed