SCHEMBL6936101

SCHEMBL6936101

C=CC(=O)Nc1ccc2c(c1)nc(C(F)F)n2C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.45
▸ NPC1 O15118 9/20 0.45
▸ MAPT P10636 5/20 0.44
▸ ATM Q13315 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ PPARG P37231 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ TGM2 P21980 2/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ NOX1 Q9Y5S8 1/20 0.40

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
SCHEMBL25599144 0.77 MAPT (0.45) RAB9ANPC1MAPTATMKDM4E
SCHEMBL25598176 0.76 SMN1; SMN2 (0.54) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL25599154 0.75 F13A1 (0.44) RAB9ANPC1MAPTATMKDM4E
SCHEMBL25680363 0.74 NPC1 (0.48) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL25681675 0.74 SMN1; SMN2 (0.42) RAB9ANPC1MAPTATMKDM4E
SCHEMBL25599129 0.73 SMN1; SMN2 (0.43) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL25598763 0.73 ALDH1A1 (0.70) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL25735906 0.71 SMN1; SMN2 (0.68) RAB9AMAPTATMKDM4ESMN1; SMN2
SCHEMBL26630402 0.70 NPC1 (0.55) RAB9ANPC1MAPTLMNATGM2
SCHEMBL25597800 0.70 HTR2B (0.54) RAB9ANPC1MAPTKDM4ESMN1; SMN2

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
WO-2011114275-A1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2011-09-22 — — WO disclosed
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