SCHEMBL13367155

SCHEMBL13367155

COc1ccc2c(=O)c3cc(C#N)ccc3sc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.59
▸ RAB9A P51151 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ CLK1 P49759 3/20 0.45
▸ SNCA P37840 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CDK1 P06493 4/20 0.40
▸ MAPKAPK2 P49137 3/20 0.40
▸ PRNP P04156 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ NCOA2 Q15596 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
SCHEMBL28453419 0.85 STS (0.45) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL28462335 0.82 STS (0.49) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL30017661 0.82 KDM4E (0.67) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL13338880 0.82 KDM4E (0.67) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL16527609 0.79 MAPT (0.64) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL28456601 0.79 G6PD (0.47) KDM4ETDP1G6PDSTS
SCHEMBL26983883 0.79 KDM4E (0.83) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL30120715 0.79 KDM4E (0.83) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL17040022 0.79 CLK1 (0.55) KDM4EALDH1A1MAPTTDP1L3MBTL1
SCHEMBL4481328 0.78 ALDH1A1 (0.82) NPC1RAB9AKDM4EALDH1A1MAPT

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
US-8557889-B2 Ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2013-10-15 — — US disclosed
US-20100129565-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-05-27 — — US disclosed
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