SCHEMBL9875674

SCHEMBL9875674

Cc1cc(N=Nc2ccc(N=Nc3ccc(S(=O)(=O)O)cc3)cc2)cc(C(=O)O)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 5/20 1.00
▸ POLB P06746 2/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ PTGS1 P23219 1/20 0.52
▸ PTGS2 P35354 1/20 0.52
▸ RPS6KA3 P51812 1/20 0.49
▸ BRD4 O60885 8/20 0.48
▸ GLO1 Q04760 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ PDE4A P27815 1/20 0.45
▸ BLVRB P30043 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ TDP1 Q9NUW8 2/20 0.44

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
SCHEMBL5146813 1.00 PHLPP2 (1.00) PHLPP2POLBCYP2D6ALDH1A1HSD17B10
SCHEMBL5146806 1.00 PHLPP2 (1.00) PHLPP2POLBCYP2D6ALDH1A1HSD17B10
SCHEMBL8843749 0.86 PHLPP2 (0.75) PHLPP2POLBCYP2D6CYP2C9RPS6KA3
SCHEMBL8843743 0.86 PHLPP2 (0.75) PHLPP2POLBCYP2D6CYP2C9RPS6KA3
SCHEMBL10528246 0.83 PHLPP2 (0.71) PHLPP2CYP2D6ALDH1A1HSD17B10CYP2C9
SCHEMBL30604557 0.81 PHLPP2 (0.78) PHLPP2POLBCYP2D6ALDH1A1HSD17B10
SCHEMBL6250400 0.81 PHLPP2 (0.78) PHLPP2POLBCYP2D6ALDH1A1HSD17B10
SCHEMBL14596773 0.81 PHLPP2 (0.78) PHLPP2POLBCYP2D6ALDH1A1HSD17B10
SCHEMBL5576043 0.81 PHLPP2 (0.78) PHLPP2POLBCYP2D6ALDH1A1HSD17B10
SCHEMBL27671132 0.80 PHLPP2 (0.67) PHLPP2CYP2D6ALDH1A1HSD17B10CYP2C9

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-5055195-A Coagulation, filtration, separation form whole blood; having two strongly polar groups separated by aromatic or heteroaroma tic rings BOEHRINGER MANNHEIM GMBH (DE) 1991-10-08 — — US disclosed
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