SCHEMBL6502347

SCHEMBL6502347

Cc1cc(NC(N)=O)cc(C)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KIF11 P52732 1/20 0.47
HTT P42858 1/20 0.44
PEPD P12955 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.42
SORT1 Q99523 1/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
ALOX15 P16050 1/20 0.40
BLM P54132 1/20 0.40
GNG2 P59768 1/20 0.40
GNB1 P62873 1/20 0.40
RAD52 P43351 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL6079845 0.84 MEN1 (0.43) PRKCIMEN1KMT2AKIF11HTT
SCHEMBL21816666 0.82 PRKCI (0.51) PRKCIMEN1KMT2AHTTALDH1A1
SCHEMBL3554231 0.82 S1PR2 (0.56) PRKCIMEN1KMT2ALMNANPC1
SCHEMBL11175103 0.81 KIF11 (0.66) MEN1KMT2AKIF11HTTPEPD
SCHEMBL6079794 0.81 MEN1 (0.41) PRKCIMEN1KMT2AKIF11HTT
SCHEMBL12685297 0.80 LMNA (0.56) PRKCIMEN1KMT2AHTTALDH1A1
SCHEMBL10616487 0.78 MAPT (0.58) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL1787750 0.78 PEPD (0.56) MEN1KMT2AKIF11PEPDALDH1A1
SCHEMBL5186798 0.77 MGLL (0.47) KIF11NPC1POLBRAD52CYP1A2
SCHEMBL30801673 0.77 KIF11 (0.50) MEN1KMT2AKIF11PEPDALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005051381-A1 Substituted urea-octatydroindols as antagonists of melanin concentrating hormone receptor 1 (MCH1R) BIOVITRUM AB (SE) 2005-06-09 WO claimed
CN-1856305-B Pyridine derivatives as urotensin II antagonists ACTELION PHARMACEUTICALS LTD 2010-04-28 CN disclosed
CN-1856305-A Pyridine derivatives and their use as urotensin II antagonists ACTELION PHARMACEUTICALS LTD (CH) 2006-11-01 CN disclosed