SCHEMBL7983304

SCHEMBL7983304

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
CDK2 P24941 1/20 0.43
FLT4 P35916 1/20 0.43
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41

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
SCHEMBL7980436 0.96 LMNA (0.46) LMNACYP11B1CYP11B2CDK2FLT4
SCHEMBL7977410 0.96 LMNA (0.46) LMNACYP11B1CYP11B2CDK2FLT4
SCHEMBL7983319 0.96 LMNA (0.46) LMNACYP11B1CYP11B2CDK2FLT4
SCHEMBL7980734 0.96 LMNA (0.46) LMNACYP11B1CYP11B2CDK2FLT4
SCHEMBL7978761 0.96 LMNA (0.46) LMNACYP11B1CYP11B2CDK2FLT4
SCHEMBL7984084 0.94 LMNA (0.49) LMNACYP11B1CYP11B2CDK2FLT4
SCHEMBL7977100 0.88 LMNA (0.44) LMNACYP11B1CYP11B2CDK2FLT4
SCHEMBL7977138 0.78 HDAC3 (0.38) LMNAGAANPC1RAB9AHDAC3
SCHEMBL7980452 0.78 HDAC3 (0.38) LMNAGAANPC1RAB9AHDAC3
SCHEMBL7980978 0.78 HDAC3 (0.38) LMNAGAANPC1RAB9AHDAC3

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