SCHEMBL28098161

SCHEMBL28098161

CCNCC(C)(O)c1ccncc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.36
CYP19A1 P11511 2/20 0.36
USP2 O75604 1/20 0.36
CYP2C19 P33261 2/20 0.36
KIF11 P52732 1/20 0.34
CA1 P00915 1/20 0.32
GAA P10253 1/20 0.32
CA9 Q16790 1/20 0.32
MAP4K4 O95819 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
LATS1 O95835 1/20 0.31
LATS2 Q9NRM7 1/20 0.31

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
SCHEMBL2013207 0.81 CYP2C19 (0.53) CYP2C19ALDH1A1KMT2ACYP1A2CYP2C9
SCHEMBL27511141 0.75 AOC3 (0.53) RAB9ACA1ALDH1A1KMT2A
SCHEMBL10618249 0.74 CYP19A1 (0.42) RAB9ACYP19A1USP2KIF11LATS1
SCHEMBL10620617 0.72 CYP19A1 (0.45) RAB9ACYP19A1USP2CYP2C19KIF11
SCHEMBL5929601 0.69 CYP2C19 (0.47) RAB9ACYP19A1USP2CYP2C19KIF11
SCHEMBL28197455 0.68 MEN1 (0.50) RAB9ACYP19A1USP2CYP2C19KIF11
SCHEMBL20710610 0.68 CYP19A1 (0.48) RAB9ACYP19A1USP2KIF11ALDH1A1
SCHEMBL2554687 0.68 CYP19A1 (0.48) RAB9ACYP19A1USP2KIF11MAP4K4
SCHEMBL22060749 0.67 KIF11 (0.34) KIF11ALDH1A1KMT2ALATS1LATS2
SCHEMBL5362887 0.67 CYP19A1 (0.36) RAB9ACYP19A1USP2CYP2C19KIF11

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-103476416-B The Compounds and methods for for the treatment of hypertension 梅迪维新技术公司 2016-09-21 CN disclosed