SCHEMBL9207392

SCHEMBL9207392

O=C(Nc1nnc(C(F)(F)C(F)(F)F)s1)c1c(O)c2ccccc2oc1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.53
▸ RAB9A P51151 5/20 0.53
▸ HTT P42858 5/20 0.53
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CA12 O43570 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ LMNA P02545 3/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ TP53 P04637 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.39
▸ ATM Q13315 1/20 0.39

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 0.92 NPC1 (0.64) NPC1RAB9AHTTMEN1KMT2A
SCHEMBL9205672 0.87 RAB9A (0.53) NPC1RAB9AHTTMEN1KMT2A
SCHEMBL9208422 0.87 MEN1 (0.46) NPC1RAB9AHTTMEN1KMT2A
SCHEMBL7608938 0.86 KMT2A (0.45) NPC1RAB9AHTTMEN1KMT2A
SCHEMBL9200971 0.86 MEN1 (0.43) NPC1RAB9AHTTMEN1KMT2A
SCHEMBL7616921 0.86 MEN1 (0.57) NPC1RAB9AHTTMEN1KMT2A
SCHEMBL7640498 0.82 CA12 (0.51) NPC1RAB9AHTTMEN1KMT2A
SCHEMBL9202732 0.82 CA12 (0.51) NPC1RAB9AHTTMEN1KMT2A
SCHEMBL9208681 0.81 CA12 (0.50) NPC1RAB9AHTTMEN1KMT2A
SCHEMBL9205774 0.81 RAB9A (0.53) NPC1RAB9AMEN1KMT2ACA12

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-0550493-B1 ANTHELMINTIC AND ANTICOCCIDAL 3-CARBAMOYL-4-HYDROXYCOUMARINS, METHOD OF USE AND COMPOSITIONS UPJOHN CO (US) 1995-08-09 — — EP claimed
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