SCHEMBL8151125

SCHEMBL8151125

C=Cc1cccc(CSCc2cccc(C=C)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 4/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.40
TNF P01375 1/20 0.40
RAB9A P51151 1/20 0.40
NOD1 Q9Y239 1/20 0.40
ACHE P22303 1/20 0.38
FAAH O00519 1/20 0.37
SLC11A2 P49281 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 2/20 0.34
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
PTGS2 P35354 1/20 0.32
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL14732604 0.89 TP53 (0.46) TP53TDP1ALDH1A1TSHRNPC1
SCHEMBL14732600 0.86 TP53 (0.43) TP53TDP1ALDH1A1TSHRNPC1
SCHEMBL1025611 0.86 TP53 (0.39) TP53TDP1ALDH1A1TSHRFAAH
SCHEMBL1025233 0.86 TP53 (0.39) TP53TDP1ALDH1A1TSHRNPC1
SCHEMBL7171513 0.84 TP53 (0.48) TP53TDP1ALDH1A1TSHRNPC1
SCHEMBL27745104 0.83 TP53 (0.41) TP53TDP1ALDH1A1TSHRNPC1
SCHEMBL7903852 0.83 TDP1 (0.41) TP53TDP1ALDH1A1TSHRNPC1
SCHEMBL7089843 0.83 TP53 (0.37) TP53TDP1ALDH1A1TSHRFAAH
SCHEMBL15292597 0.82 TP53 (0.40) TP53TDP1ALDH1A1TSHRNPC1
SCHEMBL15958303 0.82 TP53 (0.36) TP53TDP1ALDH1A1TSHRACHE

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-6041157-A Environmentally sensitive compositions of matter based on 3H-fluoren-3-ylidenes and process for making same GOETZ FREDERICK JAMES (US) 2000-03-21 US disclosed