SCHEMBL7713367

SCHEMBL7713367

Cc1c(NCS(=O)(=O)O)ccc2cc(S(=O)(=O)O)c(S(=O)(=O)O)c(O)c12

nearest known ligand 0.30

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
RECQL P46063 1/20 0.30
CASP6 P55212 1/20 0.30
KMT2A Q03164 1/20 0.30
ELAVL1 Q15717 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL6747883 0.66 ALDH1A1 (0.53) KDM4EMEN1ALDH1A1POLBGAA
SCHEMBL28020173 0.65 PTPN11 (0.41) KDM4EMEN1ALDH1A1MAPTRECQL
SCHEMBL11047153 0.64 AURKA (0.45) KDM4EMEN1ALDH1A1POLBGAA
SCHEMBL4730731 0.64 ALDH1A1 (0.43) KDM4EMEN1ALDH1A1POLBGAA
SCHEMBL13406424 0.64 BRD4 (0.38) KDM4EMEN1ALDH1A1POLBGAA
SCHEMBL8764987 0.62 NQO1 (0.43) KDM4EMEN1ALDH1A1MAPTCASP6
SCHEMBL4650426 0.62 CA2 (0.35)
SCHEMBL4650356 0.62 NT5E (0.38) CASP6
SCHEMBL11758495 0.61 CASR (0.36) KDM4EMEN1ALDH1A1POLBGAA
SCHEMBL11911308 0.61 PRMT1 (0.39) KDM4EMEN1ALDH1A1MAPTRECQL

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-6410698-B1 FIBER REACTIVE DYE; RED COLOR; WATERPROOFING, COLORFASTNESS BASF AKTIENGESELLSCHAFT (DE) 2002-06-25 US disclosed