SCHEMBL19035604

SCHEMBL19035604

CC(C)C(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.46
MYC P01106 1/20 0.45
MAX P61244 1/20 0.45
GPR35 Q9HC97 1/20 0.44
TACR1 P25103 2/20 0.44
P2RX1 P51575 3/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ACP1 P24666 1/20 0.42
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL19035689 0.81 KIF11 (0.54) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL1754979 0.79 MAPT (0.61) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL13301012 0.79 MAPT (0.56) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL11009249 0.78 MAPT (0.67) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL14521754 0.78 MAPT (0.61) MAPTKMT2AALDH1A1GPR35TACR1
SCHEMBL10133740 0.76 MAPT (0.62) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL11594274 0.75 MAPT (0.52) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL20560321 0.75 MAPT (0.52) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL260584 0.75 KIF11 (0.59) MAPTMEN1KMT2AKDM4EMYC
SCHEMBL11306123 0.74 MAPT (0.61) MAPTALDH1A1GPR35TACR1P2RX1

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
US-9687832-B2 Bifunctional organic catalysts OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-06-27 US disclosed