SCHEMBL11415519

SCHEMBL11415519

CC(C)N(C(=S)Nc1cccc(NC(=S)N(C(C)C)C(C)C)c1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 3/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
POLB P06746 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
THRB P10828 1/20 0.42
PKM P14618 1/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL5455076 0.86 KMT2A (0.56) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL11415922 0.84 KMT2A (0.49) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL11416394 0.76 LMNA (0.48) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL11415090 0.76 MAPT (0.39) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL11422283 0.74 KMT2A (0.46) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL14535305 0.70 MEN1 (0.50) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL11775744 0.68 KMT2A (0.61) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL11070019 0.68 TAS2R38 (0.48) KMT2AMAPTMEN1ALDH1A1CYP1A2
SCHEMBL4901515 0.68 CYP1A2 (0.62) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL134948 0.68 CYP1A2 (0.62) KMT2AMAPTMEN1ALDH1A1POLB

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-4218396-A ANTHELMINTICS, FUNGICIDES E. R. SQUIBB & SONS, INC. (US) 1980-08-19 US claimed
US-4218396-A ANTHELMINTICS, FUNGICIDES E. R. SQUIBB & SONS, INC. (US) 1980-08-19 US disclosed