SCHEMBL11378177

SCHEMBL11378177

CN(C)c1ccc2oc3cc(-c4nnn[nH]4)c(N)nc3c(=O)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 9/20 0.52
▸ IKBKE Q14164 5/20 0.52
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TERT O14746 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ELANE P08246 3/20 0.31
▸ CCNT1 O60563 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL11375621 0.84 CA1 (0.41) TBK1IKBKENPC1RAB9AMAPT
SCHEMBL11368435 0.83 TBK1 (0.52) TBK1IKBKENPC1RAB9AMAPT
SCHEMBL11387767 0.80 KDM1A (0.39) NPC1RAB9AMAPTTERTCA12
SCHEMBL11544885 0.76 TBK1 (0.72) TBK1IKBKENPC1RAB9APDE3A
SCHEMBL11375110 0.76 TBK1 (0.48) TBK1IKBKENPC1RAB9AMAPT
Diethanolamine SCHEMBL11375023 0.75 TBK1 (0.45) TBK1IKBKENPC1RAB9APDE3A
SCHEMBL11376915 0.73 MAOA (0.40) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL11375841 0.72 TBK1 (0.45) TBK1IKBKENPC1RAB9AMAPT
SCHEMBL19180138 0.71 TBK1 (0.48) TBK1IKBKENPC1RAB9APDE3A
SCHEMBL19197533 0.69 TBK1 (0.70) TBK1IKBKENPC1RAB9APDE3A

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
US-4267332-A ANTIALLERGENS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-05-12 — — US disclosed
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