SCHEMBL7617634

SCHEMBL7617634

O=C(Nc1nnc(C(F)F)s1)c1c(O)c2ccc(Br)cc2oc1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ CA12 O43570 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ POLB P06746 2/20 0.39
▸ HPGD P15428 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ LMNA P02545 3/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ XBP1 P17861 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CSNK2A2 P19784 2/20 0.34
▸ CSNK2B P67870 2/20 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
SCHEMBL7620353 0.89 NQO1 (0.43) MAPTKMT2APOLBHPGDALDH1A1
SCHEMBL7610904 0.88 MAPT (0.40) MAPTKMT2APOLBHPGDALDH1A1
SCHEMBL7616823 0.86 KMT2A (0.41) MAPTKMT2APOLBHPGDALDH1A1
SCHEMBL7615837 0.83 NQO1 (0.43) MAPTKMT2ACA12CA9ALDH1A1
SCHEMBL7613080 0.82 KMT2A (0.43) MAPTKMT2ACA12CA9POLB
SCHEMBL7609210 0.82 NQO1 (0.42) MAPTKMT2ACA12CA9POLB
SCHEMBL7609256 0.78 KMT2A (0.46) MAPTKMT2APOLBHPGDALDH1A1
SCHEMBL7614212 0.77 POLB (0.41) MAPTKMT2ACA12CA9POLB
SCHEMBL9204225 0.76 CA12 (0.51) MAPTKMT2ACA12CA9ALDH1A1
SCHEMBL7616962 0.76 POLB (0.43) MAPTKMT2APOLBHPGDALDH1A1

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-0869785-B1 4-HYDROXYCOUMARIN-3-CARBOXAMIDES FOR THE TREATMENT OF NON-INSULIN DEPENDENT DIABETES MELLITUS UPJOHN CO (US) 2002-08-28 — — EP claimed
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