SCHEMBL9208422

SCHEMBL9208422

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ NQO1 P15559 1/20 0.41
▸ NPC1 O15118 5/20 0.40
▸ HTT P42858 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ POLB P06746 2/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ TAS1R2 Q8TE23 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ PRNP P04156 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36

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) MEN1KMT2ANQO1NPC1HTT
SCHEMBL7612240 0.90 KMT2A (0.46) MEN1KMT2ANQO1NPC1HTT
SCHEMBL9200971 0.89 MEN1 (0.43) MEN1KMT2ANPC1HTTRAB9A
SCHEMBL7608938 0.89 KMT2A (0.45) MEN1KMT2ANPC1HTTRAB9A
SCHEMBL9207392 0.87 NPC1 (0.53) MEN1KMT2ANPC1HTTRAB9A
SCHEMBL7610344 0.84 MEN1 (0.56) MEN1KMT2ANQO1NPC1HTT
SCHEMBL7620353 0.82 NQO1 (0.43) MEN1KMT2ANQO1NPC1HTT
SCHEMBL7617104 0.82 KMT2A (0.53) MEN1KMT2ANPC1HTTRAB9A
SCHEMBL7618641 0.81 MEN1 (0.52) MEN1KMT2ANPC1HTTRAB9A
SCHEMBL9206228 0.81 POLB (0.53) MEN1KMT2ANPC1HTTRAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0550493-B1 ANTHELMINTIC AND ANTICOCCIDAL 3-CARBAMOYL-4-HYDROXYCOUMARINS, METHOD OF USE AND COMPOSITIONS UPJOHN CO (US) 1995-08-09 — — EP claimed
EP-0550493-A1 ANTHELMINTIC AND ANTICOCCIDAL 3-CARBAMOYL-4-HYDROXYCOUMARINS, METHOD OF USE AND COMPOSITIONS. UPJOHN CO (US) 1993-07-14 — — EP claimed
WO-1992006083-A1 ANTHELMINTIC AND ANTICOCCIDAL 3-CARBAMOYL-4-HYDROXYCOUMARINS, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1992-04-16 — — WO claimed
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