SCHEMBL6286531

SCHEMBL6286531

CC(C)(C)c1cc(/C=C(\C#N)C(N)=S)cc(C(C)(C)C)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.68
ALDH1A1 P00352 8/20 0.68
KMT2A Q03164 7/20 0.68
TDP1 Q9NUW8 6/20 0.68
KDM4E B2RXH2 6/20 0.68
MEN1 O00255 6/20 0.68
HPGD P15428 5/20 0.68
RECQL P46063 4/20 0.68
ERBB2 P04626 3/20 0.68
BLM P54132 3/20 0.68
LMNA P02545 3/20 0.68
RGS12 O14924 2/20 0.68
CYP1A2 P05177 2/20 0.68
CYP3A4 P08684 2/20 0.68
CYP2D6 P10635 2/20 0.68
CYP2C9 P11712 2/20 0.68
ALOX15 P16050 2/20 0.68
TSHR P16473 2/20 0.68
NFKB1 P19838 2/20 0.68
APEX1 P27695 2/20 0.68

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
SCHEMBL6278934 1.00 MAPT (0.68) MAPTALDH1A1KMT2ATDP1KDM4E
Tyrphostin Ag 879 SCHEMBL607701 0.81 MAPT (1.00) MAPTALDH1A1KMT2ATDP1KDM4E
Tyrphostin Ag 879 SCHEMBL607703 0.81 MAPT (1.00) MAPTALDH1A1KMT2ATDP1KDM4E
Tyrphostin Ag 879 SCHEMBL607702 0.81 MAPT (1.00) MAPTALDH1A1KMT2ATDP1KDM4E
SCHEMBL9487398 0.80 RPS6KA3 (0.53) ALDH1A1KDM4EHPGDCYP3A4EGFR
SCHEMBL27993190 0.76 MAPT (0.66) MAPTALDH1A1KMT2ATDP1KDM4E
SCHEMBL4561162 0.73 EGFR (0.74) MAPTALDH1A1KMT2ATDP1KDM4E
SCHEMBL4561164 0.73 EGFR (0.74) MAPTALDH1A1KMT2ATDP1KDM4E
SCHEMBL4561165 0.73 EGFR (0.74) MAPTALDH1A1KMT2ATDP1KDM4E
SCHEMBL4878079 0.72 MAPT (0.70) MAPTALDH1A1KMT2ATDP1KDM4E

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-RE38761-E1 Styryl compounds which inhibit EGF receptor protein tyrosine kinase YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2005-07-19 US claimed
US-5217999-A Antigrowth agents YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1993-06-08 US claimed