SCHEMBL9136239

SCHEMBL9136239

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CA2 P00918 9/20 0.42
CA4 P22748 1/20 0.42
ALPL P05186 1/20 0.40
POLB P06746 1/20 0.40
ALPG P10696 1/20 0.40
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2D6 P10635 1/20 0.39
TAS2R10 Q9NYW0 1/20 0.39
CA1 P00915 8/20 0.38
HSD17B10 Q99714 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
TAS2R14 Q9NYV8 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
SCHEMBL9134431 0.96 ALDH1A1 (0.45) ALDH1A1KDM4ETDP1CA2CA4
SCHEMBL9136243 0.90 ALDH1A1 (0.50) ALDH1A1KDM4ETDP1TSHRMEN1
SCHEMBL9134432 0.90 ALDH1A1 (0.50) ALDH1A1KDM4ETDP1TSHRMEN1
Terephthalic Acid SCHEMBL8092879 0.89 KDM4E (0.61) ALDH1A1KDM4ETDP1CA2CA4
Benzoic Acid SCHEMBL114504 0.86 TDP1 (0.61) ALDH1A1KDM4ETDP1CA2CA4
SCHEMBL9134320 0.86 LMNA (0.51) ALDH1A1KDM4ETDP1CA2CA4
Terephthalic Acid SCHEMBL8434830 0.84 ALDH1A1 (0.55) ALDH1A1KDM4ETDP1CA2CA4
SCHEMBL9134307 0.82 TSHR (0.48) ALDH1A1CA2CA4LMNATSHR
Aminobenzoic Acid SCHEMBL5875024 0.82 KDM4E (0.52) ALDH1A1KDM4ETDP1CA2CA4
SCHEMBL9134232 0.82 ALDH1A1 (0.52) ALDH1A1KDM4ETDP1CA2CA4

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