SCHEMBL7610344

SCHEMBL7610344

O=C(Nc1nnc(C(F)(F)F)s1)c1c(O)c2cc(F)ccc2oc1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ NPC1 O15118 9/20 0.50
▸ RAB9A P51151 8/20 0.50
▸ HTT P42858 6/20 0.50
▸ TAS1R3 Q7RTX0 1/20 0.46
▸ TAS1R1 Q7RTX1 1/20 0.46
▸ TAS1R2 Q8TE23 1/20 0.46
▸ LMNA P02545 4/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ PRNP P04156 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ NQO1 P15559 1/20 0.43
▸ TP53 P04637 3/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.41

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
SCHEMBL7610155 0.92 MEN1 (0.56) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL7611892 0.89 MEN1 (0.52) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL9208153 0.86 NPC1 (0.64) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL9208422 0.84 MEN1 (0.46) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL7612240 0.84 KMT2A (0.46) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL7615837 0.84 NQO1 (0.43) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL7617104 0.84 KMT2A (0.53) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL7618641 0.83 MEN1 (0.52) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL9206228 0.83 POLB (0.53) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL7620350 0.81 CA12 (0.49) MEN1KMT2ANPC1RAB9AHTT

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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