SCHEMBL30036618

SCHEMBL30036618

CCN1C(=O)COc2cc(N)c(C(=O)OC)cc21

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ HTT P42858 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ PLK1 P53350 1/20 0.40
▸ TSHR P16473 3/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ RORC P51449 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CHRM1 P11229 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL28965596 1.00 KDM4E (0.52) KDM4EALDH1A1HTTUSP2PLK1
SCHEMBL30036330 0.90 KDM4E (0.49) KDM4EALDH1A1HTTPLK1TSHR
SCHEMBL23577961 0.90 KDM4E (0.49) KDM4EALDH1A1HTTPLK1TSHR
SCHEMBL30036279 0.86 KDM4E (0.48) KDM4EALDH1A1HTTUSP2PLK1
SCHEMBL25387698 0.86 KDM4E (0.48) KDM4EALDH1A1HTTUSP2PLK1
SCHEMBL23577653 0.86 KDM4E (0.48) KDM4EALDH1A1HTTUSP2PLK1
SCHEMBL25387443 0.86 HTT (0.42) ALDH1A1HTTUSP2PLK1TSHR
SCHEMBL30514071 0.86 HTT (0.45) KDM4EALDH1A1HTTUSP2PLK1
SCHEMBL23578383 0.84 KDM4E (0.56) KDM4EALDH1A1TSHRGAAMAPT
SCHEMBL30034996 0.84 KDM4E (0.56) KDM4EALDH1A1TSHRGAAMAPT

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
EP-4081521-A1 SUBSTITUTED TRICYCLIC COMPOUNDS Lupin Limited (IN) 2022-11-02 — — EP disclosed
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