SCHEMBL10444854

SCHEMBL10444854

CC(C)N(c1cccc(S(=O)(=O)O)c1)c1nc(Cl)nc(N(C)c2ccc3c(O)c(N=Nc4ccc5c(S(=O)(=O)O)cccc5c4S(=O)(=O)O)c(S(=O)(=O)O)cc3c2)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PHLPP2 Q6ZVD8 2/20 0.37
▸ ENPP2 Q13822 8/20 0.37
▸ CYP1A2 P05177 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HIF1A Q16665 2/20 0.37
▸ CYP2C9 P11712 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ DNASE1L3 Q13609 1/20 0.36
▸ CD40 P25942 1/20 0.35
▸ CD40LG P29965 1/20 0.35
▸ FUT8 Q9BYC5 1/20 0.34
▸ MPL P40238 1/20 0.34
▸ CTRC Q99895 1/20 0.34

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
SCHEMBL9182471 0.94 ENPP2 (0.41) MEN1THRBKMT2ATDP1PHLPP2
SCHEMBL10024206 0.89 MEN1 (0.42) MEN1THRBKMT2ATDP1PHLPP2
SCHEMBL3698744 0.85 PHLPP2 (0.42) MEN1THRBKMT2ATDP1PHLPP2
SCHEMBL29575167 0.85 PHLPP2 (0.42) MEN1THRBKMT2ATDP1PHLPP2
SCHEMBL3698750 0.85 PHLPP2 (0.42) MEN1THRBKMT2ATDP1PHLPP2
SCHEMBL9313673 0.80 CD40 (0.49) MEN1THRBKMT2ATDP1ENPP2
SCHEMBL29915507 0.78 PRMT1 (0.46) MEN1THRBKMT2ATDP1PHLPP2
SCHEMBL9313176 0.78 FUT8 (0.47) MEN1THRBKMT2ATDP1PHLPP2
SCHEMBL14679192 0.76 ALDH1A1 (0.35) MEN1THRBKMT2ATDP1PHLPP2
SCHEMBL9565685 0.75 ALDH1A1 (0.46) MEN1THRBKMT2ATDP1PHLPP2

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-0395207-A1 New reactive dyes ZENECA LIMITED (GB) 1990-10-31 — — EP disclosed
Send feedback