SCHEMBL3348537

SCHEMBL3348537

CON=C(C)COc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
HPGD P15428 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL13182733 1.00 MAPT (0.38) MAPTTDP1ALDH1A1TSHRL3MBTL1
SCHEMBL17686592 0.75 MAPT (0.35) MAPTALDH1A1TSHRKMT2ACYP1A2
SCHEMBL12082169 0.75 MAPT (0.35) MAPTALDH1A1TSHRKMT2ACYP1A2
SCHEMBL2366775 0.75 MAPT (0.35) MAPTALDH1A1TSHRKMT2ACYP1A2
SCHEMBL3349589 0.74 ALDH1A1 (0.46) MAPTTDP1ALDH1A1TSHRL3MBTL1
SCHEMBL3351147 0.73 KMT2A (0.34) MAPTTDP1ALDH1A1TSHRL3MBTL1
SCHEMBL2366963 0.72 MAPT (0.40) MAPTALDH1A1TSHRCYP1A2CYP2D6
SCHEMBL7433745 0.71 LMNA (0.59) MAPTALDH1A1TSHRL3MBTL1KDM4E
SCHEMBL7892180 0.68 ALDH1A1 (0.47) MAPTTDP1ALDH1A1TSHRL3MBTL1
SCHEMBL481443 0.68 KMT2A (0.66) MAPTTDP1ALDH1A1TSHRL3MBTL1

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-2010106071-A1 N-HYDROXY-L-METHYL-LH-PYRAZOLE-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-09-23 WO disclosed