SCHEMBL11200940

SCHEMBL11200940

Nc1c(Br)cc(/N=N/c2ccc(S(=O)(=O)O)cc2)cc1Br.[NaH]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
CYP2D6 P10635 1/20 0.54
PHLPP2 Q6ZVD8 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CA2 P00918 4/20 0.46
CA9 Q16790 4/20 0.46
CA12 O43570 3/20 0.46
SUMO2 P61956 1/20 0.46
SUMO1 P63165 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP2 Q9HC62 1/20 0.46
PTGS1 P23219 3/20 0.45
PTGS2 P35354 3/20 0.45
CA7 P43166 1/20 0.45
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
NT5E P21589 1/20 0.44
RPS6KA3 P51812 1/20 0.43
CA1 P00915 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
SCHEMBL11200703 0.86 POLB (0.53) POLBCYP2D6PHLPP2MEN1KMT2A
SCHEMBL11200935 0.82 CA2 (0.47) POLBPHLPP2MEN1KMT2ACA2
SCHEMBL11200933 0.82 CA2 (0.47) POLBPHLPP2MEN1KMT2ACA2
SCHEMBL2394479 0.79 TSHR (0.72) POLBCYP2D6PHLPP2MEN1KMT2A
SCHEMBL11590196 0.79 TSHR (0.72) POLBCYP2D6PHLPP2MEN1KMT2A
SCHEMBL18624977 0.78 POLB (0.83) POLBCYP2D6PHLPP2MEN1KMT2A
SCHEMBL28560987 0.78 POLB (0.83) POLBCYP2D6PHLPP2MEN1KMT2A
SCHEMBL1485997 0.77 TSHR (0.75) POLBCYP2D6PHLPP2MEN1KMT2A
SCHEMBL5752505 0.77 TSHR (0.75) POLBCYP2D6PHLPP2MEN1KMT2A
SCHEMBL3511720 0.77 CA1 (0.64) MEN1KMT2ACA2CA9CA12

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-4419290-A COLORFASTNESS BASF AKTIENGESELLSCHAFT (DE) 1983-12-06 US disclosed