SCHEMBL11095772

SCHEMBL11095772

Nc1ccc(S(=O)(=O)Nc2ccc(N)c(S(=O)(=O)O)c2)cc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
TSHR P16473 2/20 0.49
HSD17B10 Q99714 2/20 0.47
CYP2C9 P11712 1/20 0.47
ATIC P31939 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 0.46
PTPN5 P54829 1/20 0.46
CASP6 P55212 2/20 0.44
FFAR4 Q5NUL3 2/20 0.44
HTT P42858 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL11092515 0.89 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10CYP2C9ATIC
SCHEMBL11088635 0.83 KMT2A (0.56) ALDH1A1HSD17B10CYP2C9ATICCYP2C19
SCHEMBL11096707 0.83 KMT2A (0.56) ALDH1A1TSHRMEN1KMT2APOLB
SCHEMBL9335131 0.82 KMT2A (0.57) ALDH1A1TSHRHSD17B10CYP2C9ATIC
SCHEMBL11089286 0.81 KMT2A (0.56) ALDH1A1MEN1KMT2APOLBPTPN5
SCHEMBL11419408 0.81 MEN1 (0.55) ALDH1A1HSD17B10MEN1KMT2APOLB
SCHEMBL11092857 0.80 FFAR4 (0.70) ALDH1A1TSHRMEN1KMT2APOLB
SCHEMBL11100495 0.78 FFAR4 (0.64) ALDH1A1MEN1KMT2APOLBCASP6
SCHEMBL11097054 0.77 FFAR4 (0.67) ALDH1A1HSD17B10CYP2C9ATICCYP2C19
SCHEMBL342600 0.76 ALDH1A1 (0.62) ALDH1A1TSHRHSD17B10CYP2C9CYP2C19

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-4479906-A BLACK LEATHER DYE BASF AKTIENGESELLSCHAFT (DE) 1984-10-30 US disclosed