SCHEMBL17354628

SCHEMBL17354628

Cc1cnc(Oc2ccc(C)c(OC(F)(F)F)c2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 3/20 0.40
▸ GRIN1 Q05586 3/20 0.40
▸ GRIN2B Q13224 3/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ABL1 P00519 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ DRD1 P21728 2/20 0.34
▸ GPR3 P46089 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CYP1A2 P05177 2/20 0.32
▸ RUNX1 Q01196 1/20 0.32
▸ BCR P11274 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ AR P10275 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL12593967 0.89 KDM4E (0.38) RXRAGRIN1GRIN2BNPSR1ABL1
SCHEMBL17354625 0.86 RXRA (0.39) RXRAGRIN1GRIN2BNPSR1ABL1
SCHEMBL17354613 0.83 KDM4E (0.41) MEN1KMT2AGPR3RAB9AKDM4E
SCHEMBL9918761 0.80 AR (0.45) MEN1HTTKMT2AGPR3FFAR4
SCHEMBL17354618 0.79 NPSR1 (0.38) RXRAGRIN1GRIN2BNPSR1MEN1
SCHEMBL21581601 0.77 DRD1 (0.40) KMT2ADRD1GPR3RAB9AHAO1
SCHEMBL20650170 0.77 GPR3 (0.46) GRIN2BMEN1KMT2AGPR3FFAR4
SCHEMBL17536372 0.77 MCHR1 (0.35) RXRAGRIN1GRIN2BDRD1
SCHEMBL17571118 0.77 XIAP (0.42) ABL1MEN1KMT2A
SCHEMBL30939555 0.76 AR (0.45) NPSR1MEN1KMT2ADRD1RAB9A

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-9216967-B2 Imidazolidinedione derivatives AUTIFONY THERAPEUTICS LIMITED (GB) 2015-12-22 — — US disclosed
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