SCHEMBL11523274

SCHEMBL11523274

O=S(=O)(O)c1cc(O)nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.46
SUMO2 P61956 2/20 0.44
SUMO1 P63165 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP2 Q9HC62 2/20 0.44
SENP1 Q9P0U3 2/20 0.44
MPL P40238 9/20 0.44
CYP2D6 P10635 1/20 0.44
CTRC Q99895 2/20 0.43
CYP1A2 P05177 2/20 0.43
HIF1A Q16665 2/20 0.43
HPGD P15428 1/20 0.43
NSD2 O96028 1/20 0.41
MMP14 P50281 1/20 0.41
CASP6 P55212 1/20 0.41
CTRB1 P17538 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL8775745 0.84 RCE1 (0.47) RCE1SUMO2SUMO1SENP7SENP2
SCHEMBL1534731 0.79 CYP1A2 (0.45) CYP2D6CYP1A2HIF1AHPGDNSD2
Water SCHEMBL8533341 0.77 CYP1A2 (0.44) CYP2D6CYP1A2HIF1AHPGDNSD2
SCHEMBL8564388 0.76 ALDH1A1 (0.48) RCE1CYP2D6CYP1A2HIF1AHPGD
SCHEMBL29376440 0.72 MYC (0.52) CYP1A2HIF1AHPGDMEN1KMT2A
SCHEMBL64767 0.72 MYC (0.52) CYP1A2HIF1AHPGDMEN1KMT2A
SCHEMBL6666484 0.72 MYC (0.57) RCE1SUMO2SUMO1SENP7SENP2
SCHEMBL669147 0.72 NQO2 (0.55) RCE1MPLCYP2D6CTRCCYP1A2
SCHEMBL6147818 0.71 TET2 (0.36) RCE1MPLCYP2D6CTRCCYP1A2
SCHEMBL6270874 0.71 CHAT (0.44) RCE1MPLCYP2D6CYP1A2HIF1A

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-4139527-A FOR LEATHER, CELLULOSE, WOOL, SILK, POLYAMIDES HOECHST AKTIENGESELLSCHAFT (DE) 1979-02-13 US disclosed