SCHEMBL10905444

SCHEMBL10905444

CN(C)N(CCC(N)=O)C(=S)Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.42
▸ TAS2R38 P59533 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ TYR P14679 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ GAA P10253 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ EPHX1 P07099 1/20 0.40
▸ KDM1A O60341 1/20 0.39
▸ ABAT P80404 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NAPRT Q6XQN6 1/20 0.39

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
SCHEMBL10906136 0.83 LTA4H (0.45) ALDH1A1GAACYP1A2L3MBTL1ABAT
SCHEMBL10906603 0.82 LTA4H (0.46) GAAL3MBTL1ABATMAPTHTT
SCHEMBL10905453 0.78 MTOR (0.40) KMT2AALDH1A1TAS2R38HSD17B10TP53
SCHEMBL10905605 0.75 LMNA (0.59) KMT2AALDH1A1TAS2R38HSD17B10GAA
SCHEMBL10906144 0.74 KMT2A (0.43) KMT2AALDH1A1HSD17B10TP53GAA
SCHEMBL10907495 0.74 KMT2A (0.46) KMT2AALDH1A1HSD17B10TSHRL3MBTL1
SCHEMBL10906147 0.71 KMT2A (0.43) KMT2AALDH1A1HSD17B10TP53GAA
SCHEMBL8164721 0.71 GAA (0.49) ALDH1A1TAS2R38HSD17B10GAACYP1A2
SCHEMBL10906149 0.71 NPSR1 (0.39) KMT2AALDH1A1TP53TSHRHTT
SCHEMBL10670402 0.69 MEN1 (0.67) KMT2AALDH1A1TAS2R38HSD17B10TP53

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-4633014-A ANTIARRHYTHMIA AGENTS INSTITUT ORGANICHESKOGO SINTEZA AKADEMII NAUK LATVIISKOI SSR 1986-12-30 — — US disclosed
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