SCHEMBL3351147

SCHEMBL3351147

CON=C(C)Oc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 4/20 0.33
TSHR P16473 4/20 0.33
HSD17B10 Q99714 3/20 0.33
HPGD P15428 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CYP3A4 P08684 1/20 0.33
RECQL P46063 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2D6 P10635 3/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 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
SCHEMBL3348537 0.73 MAPT (0.38) KMT2AALDH1A1TSHRHSD17B10HPGD
SCHEMBL13182733 0.73 MAPT (0.38) KMT2AALDH1A1TSHRHSD17B10HPGD
SCHEMBL4645395 0.71 ABCB11 (0.49) KMT2AALDH1A1TSHRHSD17B10CA1
SCHEMBL23733084 0.68 CA1 (0.44) KMT2AALDH1A1TSHRHPGDCA1
SCHEMBL19546119 0.68 ALDH1A1 (0.42) KMT2AALDH1A1TSHRHPGDCA1
SCHEMBL2366775 0.68 MAPT (0.35) KMT2AALDH1A1TSHRHSD17B10CYP3A4
SCHEMBL12082169 0.68 MAPT (0.35) KMT2AALDH1A1TSHRHSD17B10CYP3A4
SCHEMBL17686592 0.68 MAPT (0.35) KMT2AALDH1A1TSHRHSD17B10CYP3A4
SCHEMBL317719 0.68 CA1 (0.46) KMT2AALDH1A1TSHRHSD17B10HPGD
SCHEMBL1573908 0.67 ELANE (0.39) KMT2AALDH1A1TSHRHSD17B10CA1

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