SCHEMBL28825655

SCHEMBL28825655

CC(=NNC(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.72
CYP1A2 P05177 1/20 0.72
CYP2C9 P11712 1/20 0.72
CYP2C19 P33261 1/20 0.72
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 4/20 0.59
POLB P06746 2/20 0.59
KDM4E B2RXH2 1/20 0.59
MAPT P10636 4/20 0.58
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
GAA P10253 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA4 P22748 1/20 0.57
CA9 Q16790 1/20 0.57
MEN1 O00255 2/20 0.56
FAAH O00519 1/20 0.54
MGLL Q99685 1/20 0.54
ALOX12 P18054 1/20 0.52

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
SCHEMBL8634898 0.87 LMNA (0.74) LMNACYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL8634895 0.87 LMNA (0.74) LMNACYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL27178058 0.85 CA1 (0.75) LMNACYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL27178061 0.85 CA1 (0.75) LMNACYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL17560861 0.84 LMNA (1.00) LMNACYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL27178238 0.83 CA1 (0.68) LMNACYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL27178246 0.83 CA1 (0.68) LMNACYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL27177914 0.83 NPC1 (0.72) LMNACYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL27178212 0.83 NPC1 (0.72) LMNACYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL27177853 0.83 NPC1 (0.72) LMNACYP1A2CYP2C9CYP2C19KMT2A

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-105130843-A Benzyl hydrazone compound and preparation method and uses thereof UNIV CHINA AGRICULTURAL 2015-12-09 CN disclosed