SCHEMBL9134232

SCHEMBL9134232

C[N+](C)(C)Cc1ccccc1.C[N+](C)(C)Cc1ccccc1.O=C([O-])c1ccc(S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.48
ALPL P05186 1/20 0.45
POLB P06746 1/20 0.45
ALPG P10696 1/20 0.45
PRMT1 Q99873 2/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 1/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NAMPT P43490 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 3/20 0.41

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
SCHEMBL9132276 0.96 TSHR (0.51) ALDH1A1KDM4ETDP1L3MBTL1ALPL
Terephthalic Acid SCHEMBL8092879 0.92 KDM4E (0.61) ALDH1A1KDM4ETDP1ALPLPOLB
SCHEMBL9132279 0.89 TSHR (0.57) ALDH1A1KDM4ETDP1L3MBTL1PRMT1
SCHEMBL9134235 0.89 TSHR (0.57) ALDH1A1KDM4ETDP1L3MBTL1PRMT1
Benzoic Acid SCHEMBL114504 0.89 TDP1 (0.61) ALDH1A1KDM4ETDP1ALPLPOLB
Terephthalic Acid SCHEMBL8434830 0.87 ALDH1A1 (0.55) ALDH1A1KDM4ETDP1ALPLPOLB
SCHEMBL9131875 0.87 KMT2A (0.52) ALDH1A1KDM4EL3MBTL1ALPLPOLB
Aminobenzoic Acid SCHEMBL5875024 0.84 KDM4E (0.52) ALDH1A1KDM4ETDP1ALPLPOLB
SCHEMBL9137481 0.83 MEN1 (0.49) L3MBTL1CA2TSHRHSD17B10SMN1; SMN2
SCHEMBL9136239 0.82 ALDH1A1 (0.49) ALDH1A1KDM4ETDP1ALPLPOLB

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
US-5378571-A Toners for electrography HOECHST AKTIENGESELLSCHAFT (DE) 1995-01-03 US disclosed