SCHEMBL10447271

SCHEMBL10447271

CC1=CC(c2cccc(C)c2)C=C(S(=O)(=O)O)C1(N)N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 2/20 0.33
HDAC4 P56524 1/20 0.33
MAOB P27338 2/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
HTR2C P28335 3/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTR2B P41595 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL2165693 0.65 KMT2A (0.36) TDP1L3MBTL1KMT2AMEN1HDAC4
Methane SCHEMBL6545484 0.64 KMT2A (0.36) TDP1L3MBTL1KMT2AMEN1HDAC4
SCHEMBL6151708 0.62 ACHE (0.52) TDP1KMT2AMEN1HDAC4HTR2C
M-Xylene SCHEMBL10416113 0.62 ACHE (0.67) TDP1KMT2AALDH1A1GAAHSD17B10
SCHEMBL9288607 0.61 LMNA (0.41) TDP1L3MBTL1KMT2AMEN1HDAC4
M-Xylene SCHEMBL8640080 0.60 ACHE (0.63) TDP1KMT2AALDH1A1GAAHSD17B10
SCHEMBL297089 0.60 KMT2A (0.49) CACNA1BTDP1L3MBTL1KMT2AMEN1
SCHEMBL7341175 0.60 CACNA1B (0.64) CACNA1BHDAC4
SCHEMBL136546 0.60 ALDH1A1 (0.57) TDP1KMT2AMEN1HTR2CHTR2A
SCHEMBL6832061 0.60 ALDH1A1 (0.57) TDP1KMT2AMEN1HTR2CHTR2A

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
EP-0395951-A1 Polyfunctional reactive dyes BAYER AG (DE) 1990-11-07 EP disclosed