SCHEMBL9233997

SCHEMBL9233997

N#CC(=Cc1ccccc1C(F)(F)F)C(N)=S

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 9/20 0.49
ALDH1A1 P00352 9/20 0.49
GAA P10253 3/20 0.49
HTT P42858 2/20 0.49
ATM Q13315 1/20 0.49
KDM4E B2RXH2 7/20 0.47
TDP1 Q9NUW8 6/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
RECQL P46063 4/20 0.47
POLB P06746 2/20 0.47
THRB P10828 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
HPGD P15428 4/20 0.44
BLM P54132 3/20 0.44
RGS12 O14924 2/20 0.44
ERBB2 P04626 2/20 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
SCHEMBL8478479 0.86 ALDH1A1 (0.47) LMNASMN1; SMN2MAPTALDH1A1GAA
SCHEMBL28450866 0.85 LMNA (0.60) LMNASMN1; SMN2MAPTALDH1A1GAA
SCHEMBL8479109 0.81 MAPT (0.46) LMNASMN1; SMN2MAPTALDH1A1GAA
SCHEMBL4661446 0.80 LMNA (0.61) LMNASMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL4661444 0.80 LMNA (0.61) LMNASMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL32687981 0.78 ALDH1A1 (0.45) LMNASMN1; SMN2MAPTALDH1A1GAA
SCHEMBL3368306 0.77 TRPA1 (0.55) LMNASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL32688380 0.74 ALDH1A1 (0.48) LMNAMAPTALDH1A1GAAHTT
SCHEMBL11669632 0.72 SMN1; SMN2 (0.60) LMNASMN1; SMN2MAPTALDH1A1ATM
SCHEMBL8544302 0.72 SMN1; SMN2 (0.60) LMNASMN1; SMN2MAPTALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996033179-A1 THIOAMIDES DERIVATES AND THEIR USE AS INHIBITORS OF HYPER-PROLIFERATIVE CELL GROWTH SUGEN, INC. (US) 1996-10-24 WO disclosed