SCHEMBL9207001

SCHEMBL9207001

O=C(Nc1nnc(-c2ccccc2F)s1)c1c(O)c2ccccc2oc1=O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 10/20 0.56
▸ RAB9A P51151 10/20 0.56
▸ RXFP1 Q9HBX9 2/20 0.56
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ KDM4E B2RXH2 2/20 0.49
▸ POLB P06746 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPT P10636 3/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ NMUR2 Q9GZQ4 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ HTT P42858 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 1/20 0.42

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
SCHEMBL9205774 0.86 RAB9A (0.53) NPC1RAB9ARXFP1SMN1; SMN2KDM4E
SCHEMBL7640498 0.83 CA12 (0.51) NPC1RAB9ASMN1; SMN2KDM4EPOLB
SCHEMBL9202732 0.83 CA12 (0.51) NPC1RAB9ASMN1; SMN2KDM4EPOLB
SCHEMBL9208681 0.82 CA12 (0.50) NPC1RAB9ASMN1; SMN2KDM4EPOLB
SCHEMBL9208153 0.82 NPC1 (0.64) NPC1RAB9ARXFP1SMN1; SMN2KDM4E
SCHEMBL9207392 0.80 NPC1 (0.53) NPC1RAB9ASMN1; SMN2KDM4EPOLB
SCHEMBL9203908 0.80 MAPT (0.62) NPC1RAB9ASMN1; SMN2KDM4EPOLB
SCHEMBL9205672 0.80 RAB9A (0.53) NPC1RAB9ASMN1; SMN2KDM4EPOLB
SCHEMBL9203435 0.79 NPC1 (0.59) NPC1RAB9ARXFP1SMN1; SMN2POLB
SCHEMBL9202008 0.77 ABL1 (0.59) SMN1; SMN2KDM4EALDH1A1MAPTTDP1

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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