SCHEMBL3837433

SCHEMBL3837433

CN(C)c1ccc(C(=O)NC(C)(C)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
NPC1 O15118 2/20 0.53
HPGD P15428 2/20 0.53
KCNK3 O14649 1/20 0.52
IMPDH2 P12268 1/20 0.49
ALDH1A1 P00352 6/20 0.49
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 4/20 0.47
PKM P14618 1/20 0.47
MEN1 O00255 2/20 0.45

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
SCHEMBL3039120 0.85 POLB (0.58) IMPDH2SMN1; SMN2HDAC1HDAC6CYP3A4
SCHEMBL3836272 0.83 RAB9A (0.57) RAB9ANPC1IMPDH2ALDH1A1LMNA
SCHEMBL94229 0.82 IMPDH2 (0.52) RAB9AIMPDH2SMN1; SMN2LMNAHDAC1
SCHEMBL3838597 0.82 IMPDH2 (0.52) RAB9ANPC1HPGDIMPDH2ALDH1A1
SCHEMBL3836954 0.81 IMPDH2 (0.51) RAB9ANPC1IMPDH2MAPTSMN1; SMN2
SCHEMBL3835902 0.81 PPARG (0.52) RAB9ANPC1KCNK3IMPDH2ALDH1A1
SCHEMBL3835811 0.81 POLB (0.56) RAB9ANPC1IMPDH2ALDH1A1MAPT
SCHEMBL25754043 0.80 HDAC1 (0.58) RAB9ANPC1HPGDKCNK3ALDH1A1
SCHEMBL3834428 0.78 ROCK2 (0.49) RAB9ANPC1IMPDH2ALDH1A1LMNA
SCHEMBL3860731 0.78 EPHX2 (0.50) RAB9AIMPDH2ALDH1A1LMNAHDAC1

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
EP-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed