SCHEMBL9205672

SCHEMBL9205672

CC(C)(C)c1nnc(NC(=O)c2c(O)c3ccccc3oc2=O)s1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.53
▸ NPC1 O15118 4/20 0.53
▸ HTT P42858 3/20 0.53
▸ CA12 O43570 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.48
▸ MAPT P10636 4/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.46
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PTGER3 P43115 1/20 0.44
▸ LMNA P02545 1/20 0.44

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 0.89 NPC1 (0.64) RAB9ANPC1HTTCA12CA9
SCHEMBL9207392 0.87 NPC1 (0.53) RAB9ANPC1HTTCA12CA9
SCHEMBL7640498 0.84 CA12 (0.51) RAB9ANPC1HTTCA12CA9
SCHEMBL9202732 0.84 CA12 (0.51) RAB9ANPC1HTTCA12CA9
SCHEMBL9208681 0.83 CA12 (0.50) RAB9ANPC1HTTCA12CA9
SCHEMBL9203908 0.83 MAPT (0.62) RAB9ANPC1HTTCA12CA9
SCHEMBL9205774 0.82 RAB9A (0.53) RAB9ANPC1CA12CA9POLB
SCHEMBL9207001 0.80 NPC1 (0.56) RAB9ANPC1HTTCA12CA9
SCHEMBL9203435 0.80 NPC1 (0.59) RAB9ANPC1POLBALDH1A1MAPT
SCHEMBL9207130 0.78 MEN1 (0.53) RAB9ANPC1HTTPOLBALDH1A1

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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