SCHEMBL27684635

SCHEMBL27684635

C[C](C)Cc1nc(C(C)=O)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
MAPT P10636 2/20 0.51
NPC1 O15118 2/20 0.51
KDM1A O60341 5/20 0.45
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
FPR2 P25090 5/20 0.39
FPR3 P25089 4/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37

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
SCHEMBL1706525 0.87 RAB9A (0.50) RAB9AMAPTNPC1KDM1AHDAC1
SCHEMBL13547516 0.82 MAPT (0.53) RAB9AMAPTNPC1KDM1AHDAC1
SCHEMBL9926020 0.81 MAPT (0.51) RAB9AMAPTNPC1KDM1AHDAC1
SCHEMBL2642294 0.81 MAPT (0.51) RAB9AMAPTNPC1KDM1AHDAC1
SCHEMBL14076073 0.78 FPR2 (0.51) RAB9AMAPTNPC1KDM1AHDAC1
SCHEMBL9298064 0.77 FPR2 (0.50) RAB9AMAPTNPC1KDM1AFPR2
SCHEMBL21333144 0.74 HDAC1 (0.68) RAB9AMAPTNPC1HDAC1HDAC8
SCHEMBL21516426 0.73 MAPT (0.42) RAB9AMAPTNPC1KDM1AFPR2
SCHEMBL4300645 0.72 HTR2B (0.40) RAB9AMAPTHDAC1HDAC8HDAC6
SCHEMBL8280912 0.72 HRH3 (0.63) RAB9AMAPTNPC1FPR2FPR3

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
CN-101006085-A Substituted hydantoins HOFFMANN LA ROCHE (CH) 2007-07-25 CN disclosed