SCHEMBL7197754

SCHEMBL7197754

O=C(O)c1cc(Cl)c(S(=O)(=O)Oc2cccc3ccccc23)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
PKM P14618 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SCN9A Q15858 2/20 0.43
TRPM4 Q8TD43 1/20 0.43
POLB P06746 2/20 0.42
G6PD P11413 1/20 0.42
CYP2D6 P10635 1/20 0.42
MCL1 Q07820 2/20 0.42
BCL2L1 Q07817 1/20 0.42
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL7207925 0.83 KMT2A (0.45) MEN1KMT2AMAPTHTTKDM4E
SCHEMBL7195634 0.78 NR4A1 (0.49) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL11701473 0.75 NR4A1 (0.45) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL7187556 0.75 MRGPRX4 (0.47) MEN1KMT2AMAPTHTTKDM4E
SCHEMBL11702500 0.72 NR4A1 (0.51) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL15758201 0.70 NR4A1 (0.57) MEN1KMT2AMAPTHTTKDM4E
SCHEMBL7189988 0.70 KMT2A (0.49) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL10878438 0.70 MEN1 (0.49) MEN1KMT2ASCN9AESRRA
SCHEMBL3933078 0.70 METAP2 (0.59) MEN1KMT2AMAPTHTTKDM4E
SCHEMBL27607349 0.69 ALDH1A1 (0.53) MEN1KMT2AKDM4EALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1304924-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS Bayer Aktiengesellschaft (DE) 2003-05-02 EP disclosed
WO-2002005646-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS S.C. JOHNSON & SON, INC. (US) (US) 2002-01-24 WO disclosed