SCHEMBL8613542

SCHEMBL8613542

CC(C)(C)OC(=O)NCCN(C(=O)c1c(-c2ccccc2)ccnc1Cl)C(c1ccccc1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 1/20 0.42
▸ SKP1 P63208 1/20 0.42
▸ SKP2 Q13309 1/20 0.42
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NCOA1 Q15788 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NCOA3 Q9Y6Q9 1/20 0.37
▸ ACACB O00763 1/20 0.35
▸ ACACA Q13085 1/20 0.35
▸ TACR1 P25103 4/20 0.35
▸ MALT1 Q9UDY8 1/20 0.34
▸ NPSR1 Q6W5P4 3/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ PDK2 Q15119 1/20 0.34

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
SCHEMBL6988118 0.78 TACR1 (0.51) CKS1BSKP1SKP2TACR1
SCHEMBL11987483 0.67 ATR (0.62) CKS1BSKP1SKP2MEN1KMT2A
SCHEMBL5927363 0.64 HDAC1 (0.41) CKS1BSKP1SKP2S1PR1
SCHEMBL31248609 0.64 GRM2 (0.51) MEN1KMT2ANPSR1AAK1MAPT
SCHEMBL5927008 0.63 S1PR1 (0.39) CKS1BSKP1SKP2S1PR1CTSS
SCHEMBL31580479 0.63 CPB2 (0.38) CKS1BSKP1SKP2MEN1KMT2A
SCHEMBL28256776 0.63 NQO2 (0.54) CKS1BSKP1SKP2MEN1KMT2A
SCHEMBL20014854 0.62 MTNR1A (0.61) MEN1KMT2AMALT1IDO1CTSS
SCHEMBL28003948 0.62 SMN1; SMN2 (0.43) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL15283620 0.62 CKS1B (0.50) CKS1BSKP1SKP2MEN1KMT2A

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-5786352-A CARDIOVASCULAR DISORDERS, TACHYKININ RECEPTOR ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-07-28 — — US disclosed
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