SCHEMBL18230472

SCHEMBL18230472

COc1cccc(C(=O)Nc2nc(-c3ccccn3)c(C#N)s2)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.46
▸ NPC1 O15118 6/20 0.46
▸ PKM P14618 1/20 0.46
▸ PAX8 Q06710 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ TRPV4 Q9HBA0 1/20 0.43
▸ GAA P10253 3/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ TP53 P04637 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ NCS1 P62166 1/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ DUSP3 P51452 1/20 0.41
▸ POLQ O75417 1/20 0.41
▸ ADORA2A P29274 2/20 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
SCHEMBL18230364 0.83 ADORA2A (0.42) RAB9ANPC1PKMPAX8L3MBTL1
SCHEMBL18230488 0.81 ADORA2A (0.46) RAB9ANPC1L3MBTL1TRPV4MEN1
SCHEMBL18230494 0.81 NPC1 (0.49) RAB9ANPC1PKMPAX8L3MBTL1
SCHEMBL18230411 0.80 ADORA3 (0.61) RAB9ANPC1TRPV4MEN1KMT2A
SCHEMBL18230342 0.80 ADORA2A (0.44) L3MBTL1TRPV4GAAMEN1KMT2A
SCHEMBL18230254 0.79 TRPV4 (0.52) RAB9ANPC1TRPV4MEN1KMT2A
SCHEMBL18230353 0.78 PTGES (0.49) RAB9ANPC1PKML3MBTL1TRPV4
SCHEMBL18094560 0.78 MAPT (0.59) RAB9ANPC1PKMPAX8L3MBTL1
SCHEMBL18230512 0.77 GRM1 (0.53) RAB9ANPC1TRPV4MEN1KMT2A
SCHEMBL18230397 0.76 KDM4E (0.50) RAB9ANPC1PKML3MBTL1TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016183173-A1 ANTIPARASITIC COMPOUNDS Avista Pharma Solutions (US) 2016-11-17 — — WO disclosed
WO-2016183173-A1 ANTIPARASITIC COMPOUNDS Avista Pharma Solutions (US) 2016-11-17 — — WO disclosed
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