SCHEMBL27691965

SCHEMBL27691965

CCCCCC(=O)c1cc(C)ccc1N(C)C(=O)Nc1nccs1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
CYP2C9 P11712 1/20 0.42
ADORA2A P29274 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.41
PKM P14618 1/20 0.41
MAPK10 P53779 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
PPARG P37231 1/20 0.40
NCOR2 Q9Y618 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
SCHEMBL1339464 0.77 POLB (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL27712092 0.74 LMNA (0.34) LMNAL3MBTL1POLB
SCHEMBL28766755 0.74 PLA2G4A (0.35) LMNAL3MBTL1
SCHEMBL2656868 0.70 ADORA2A (0.66) LMNAL3MBTL1CYP2C9ADORA2ANPC1
SCHEMBL1341903 0.69 SMN1; SMN2 (0.46) LMNAL3MBTL1CYP2C9ADORA2ANPC1
SCHEMBL27631139 0.69 CYP2C9 (0.39) LMNAL3MBTL1CYP2C9ADORA2ANPC1
SCHEMBL7142997 0.69 ADORA2A (0.64) LMNAL3MBTL1CYP2C9ADORA2ANPC1
SCHEMBL17817590 0.69 ADORA2A (0.64) LMNAL3MBTL1CYP2C9ADORA2ANPC1
SCHEMBL27712123 0.68 SMN1; SMN2 (0.45) LMNAL3MBTL1CYP2C9ADORA2ANPC1
SCHEMBL1339916 0.67 SMN1; SMN2 (0.48) LMNACYP2C9NPC1RAB9ASMN1; SMN2

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
CN-101130526-B Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK AS 2013-07-10 CN disclosed
CN-101130526-A Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK AS (DK) 2008-02-27 CN disclosed