SCHEMBL28029856

SCHEMBL28029856

C=C(C)c1cc(C)ccc1C.N=C=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 2/20 0.37
CSNK2A1 P68400 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
CYP2D6 P10635 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL8154014 0.88 MEN1 (0.46) MEN1KMT2ATSHRCSNK2A1SMN1; SMN2
SCHEMBL27601016 0.86 MEN1 (0.40) MEN1KMT2ATSHRCSNK2A1SMN1; SMN2
SCHEMBL2679728 0.76
SCHEMBL28484247 0.73 TDP1 (0.42) MEN1KMT2ATSHRSMN1; SMN2HSD17B10
SCHEMBL57492 0.73 TDP1 (0.42) MEN1KMT2ATSHRSMN1; SMN2HSD17B10
SCHEMBL29749725 0.73 CSNK2A1 (0.40) MEN1KMT2ACSNK2A1SMN1; SMN2CYP3A4
SCHEMBL1820394 0.73 CSNK2A1 (0.40) MEN1KMT2ACSNK2A1SMN1; SMN2CYP3A4
SCHEMBL13518230 0.73 MEN1 (0.49) MEN1KMT2ATSHRCSNK2A1SMN1; SMN2
SCHEMBL18973887 0.73 MCL1 (0.46) MEN1KMT2ACYP2C19TDP1MAPT
SCHEMBL20830805 0.73 KMT2A (0.45) MEN1KMT2ATSHRCSNK2A1SMN1; SMN2

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
CN-104837529-A Agent for obtaining a stable aqueous composition comprising suspended particles COATEX SAS 2015-08-12 CN disclosed