SCHEMBL7977100

SCHEMBL7977100

N#CN(CCSSCCN(C#N)C(=N)Nc1cccnc1)C(=N)Nc1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.39
ABCC9 O60706 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
KCNJ8 Q15842 1/20 0.39
PKM P14618 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NOTUM Q6P988 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL7984084 0.91 LMNA (0.49) LMNACYP11B1CYP11B2GAAMEN1
SCHEMBL7983304 0.88 LMNA (0.47) LMNACYP11B1CYP11B2GAAMEN1
SCHEMBL7977410 0.87 LMNA (0.46) LMNACYP11B1CYP11B2GAAMEN1
SCHEMBL7983319 0.87 LMNA (0.46) LMNACYP11B1CYP11B2GAAMEN1
SCHEMBL7980734 0.87 LMNA (0.46) LMNACYP11B1CYP11B2GAAMEN1
SCHEMBL7978761 0.87 LMNA (0.46) LMNACYP11B1CYP11B2GAAMEN1
SCHEMBL7980436 0.87 LMNA (0.46) LMNACYP11B1CYP11B2GAAMEN1
SCHEMBL1610107 0.73 MEN1 (0.51) LMNACYP11B1CYP11B2MEN1ABCC9
SCHEMBL7977138 0.70 HDAC3 (0.38) LMNAGAAMEN1ABCC9CYP1A2
SCHEMBL7980452 0.70 HDAC3 (0.38) LMNAGAAMEN1ABCC9CYP1A2

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-6300345-B1 AS ANTIPROLIFERATIVE AGENT Leo Pharmacuetical Products Ltd. A/S (Løvens kemiske Fabrik Produktionsaktieselskab) (DK) 2001-10-09 US disclosed