SCHEMBL15764692

SCHEMBL15764692

Cc1ccc(C(=O)Nc2ccc3[nH]cc(C#N)c3c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.59
▸ MAPT P10636 6/20 0.53
▸ TP53 P04637 2/20 0.53
▸ NPC1 O15118 6/20 0.50
▸ RAB9A P51151 6/20 0.50
▸ PFKFB2 O60825 1/20 0.48
▸ PFKFB1 P16118 1/20 0.48
▸ PFKFB3 Q16875 1/20 0.48
▸ ITK Q08881 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ IMPDH2 P12268 1/20 0.47
▸ ESR1 P03372 1/20 0.46
▸ HTR1A P08908 1/20 0.45
▸ HTR1D P28221 1/20 0.45
▸ HTR1B P28222 1/20 0.45
▸ HTR1F P30939 1/20 0.45
▸ STK17B O94768 1/20 0.45

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
SCHEMBL28429317 0.85 XDH (0.62) XDHPFKFB2PFKFB1PFKFB3
SCHEMBL29940648 0.78 XDH (0.60) XDHPFKFB2PFKFB1PFKFB3IMPDH2
SCHEMBL29940720 0.78 XDH (0.62) XDHPFKFB2PFKFB1PFKFB3
SCHEMBL28430806 0.78 XDH (0.60) XDHPFKFB2PFKFB1PFKFB3IMPDH2
SCHEMBL28427144 0.78 XDH (0.62) XDHPFKFB2PFKFB1PFKFB3
SCHEMBL6599646 0.75 IMPDH2 (0.56) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL22803955 0.75 STING1 (0.57) XDHMAPTRAB9APFKFB2PFKFB1
SCHEMBL28587237 0.74 XDH (1.00) XDH
SCHEMBL6599204 0.74 GPR84 (0.55) XDHNPC1RAB9APFKFB2PFKFB1
SCHEMBL18343649 0.73 XDH (0.54) XDHPFKFB2PFKFB1PFKFB3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951316-B2 Enhancers of induced pluripotent stem cell reprogramming CITY OF HOPE (US) 2018-04-24 — — US disclosed
US-20150191701-A1 ENHANCERS OF INDUCED PLURIPOTENT STEM CELL REPROGRAMMING CITY OF HOPE 2015-07-09 — — US disclosed
US-8962322-B2 Enhancers of induced pluripotent stem cell reprogramming CITY OF HOPE 2015-02-24 — — US disclosed
US-20140154805-A1 ENHANCERS OF INDUCED PLURIPOTENT STEM CELL REPROGRAMMING CITY OF HOPE (US) 2014-06-05 — — US disclosed
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