SCHEMBL10905605

SCHEMBL10905605

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.59
▸ ALDH1A1 P00352 4/20 0.51
▸ USP2 O75604 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ POLB P06746 1/20 0.47
▸ HPGD P15428 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ TAS2R38 P59533 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL10903651 0.82 USP2 (0.63) LMNAALDH1A1USP2HSD17B10POLB
SCHEMBL10906136 0.75 LTA4H (0.45) ALDH1A1GAACYP1A2MAPTHTT
SCHEMBL10905444 0.75 KMT2A (0.46) ALDH1A1HSD17B10GAAKMT2ACYP1A2
SCHEMBL10906603 0.74 LTA4H (0.46) GAAMAPTHTT
SCHEMBL10906184 0.71 MLYCD (0.48) ALDH1A1USP2HSD17B10POLBHPGD
SCHEMBL10906616 0.71 ALDH1A1 (0.37) LMNAALDH1A1HPGDGAAKMT2A
SCHEMBL10905453 0.70 MTOR (0.40) LMNAALDH1A1HSD17B10HPGDGAA
SCHEMBL23618280 0.69 ALDH1A1 (0.61) ALDH1A1HSD17B10HPGDGAAKMT2A
SCHEMBL5448016 0.69 ALDH1A1 (0.61) ALDH1A1HSD17B10HPGDGAAKMT2A
SCHEMBL17596668 0.68 MAPT (0.55) LMNAALDH1A1HSD17B10GAACYP1A2

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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