SCHEMBL16627900

SCHEMBL16627900

CCOc1ccc(-c2nn(C)c(Cl)c2C=O)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP3A4 P08684 1/20 0.40
SENP2 Q9HC62 1/20 0.40
SENP1 Q9P0U3 1/20 0.40
CYP2C19 P33261 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
OXTR P30559 2/20 0.39
P2RX3 P56373 1/20 0.37
PSD A5PKW4 1/20 0.37
ERN1 O75460 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL16627158 0.86 ACLY (0.43) CYP1A2KMT2ACYP2C9CYP2C19MAPT
SCHEMBL16627217 0.83 MAPT (0.39) ALDH1A1CYP1A2KMT2ACYP2C9SENP2
SCHEMBL15333240 0.81 PTGES (0.40) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL19987602 0.79 CD274 (0.33) ALDH1A1CYP1A2MEN1KMT2ACYP2C9
SCHEMBL16273669 0.79 FFAR1 (0.32) ALDH1A1CYP1A2MEN1KMT2ACYP2C9
SCHEMBL15330426 0.79 TDP2 (0.43) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL16273643 0.79 ESR2 (0.40) ALDH1A1CYP1A2MEN1KMT2ACYP2C9
SCHEMBL16910994 0.78 NR1H4 (0.32) CYP1A2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL16910940 0.78 SENP2 (0.38) ALDH1A1CYP1A2MEN1KMT2ACYP2C9
SCHEMBL15333101 0.77 PDE5A (0.41) ALDH1A1MEN1KMT2AMAPTKDM4E

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
WO-2015050040-A1 PLANT DISEASE CONTROL COMPOSITION AND USE THEREOF 住友化学株式会社 2015-04-09 WO disclosed