SCHEMBL9207130

SCHEMBL9207130

O=C(Nc1nnc(C(F)(F)F)s1)c1c(O)c2ccc(-c3ccccc3)cc2oc1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ HTT P42858 7/20 0.50
▸ NPC1 O15118 6/20 0.50
▸ RAB9A P51151 5/20 0.50
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ ATM Q13315 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ TP53 P04637 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ LMNA P02545 4/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 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
SCHEMBL9208153 0.88 NPC1 (0.64) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL7610155 0.87 MEN1 (0.56) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL7617104 0.87 KMT2A (0.53) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL7610711 0.87 MEN1 (0.49) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL9206228 0.86 POLB (0.53) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL7618641 0.86 MEN1 (0.52) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL9201286 0.84 NPC1 (0.57) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL7610344 0.81 MEN1 (0.56) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL7608938 0.81 KMT2A (0.45) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL7620367 0.81 KMT2A (0.45) MEN1KMT2AHTTNPC1RAB9A

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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