SCHEMBL14560446

SCHEMBL14560446

CC(=O)OCCc1c(C=O)n(C)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TDP1 Q9NUW8 4/20 0.44
▸ L3MBTL1 Q9Y468 4/20 0.44
▸ ATM Q13315 3/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ EGFR P00533 4/20 0.43
▸ MCL1 Q07820 2/20 0.41
▸ BCL2 P10415 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 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
SCHEMBL14560448 0.82 EGFR (0.50) ALDH1A1KDM4ETDP1L3MBTL1ATM
SCHEMBL14560443 0.82 EGFR (0.64) ALDH1A1KDM4ETDP1L3MBTL1ATM
SCHEMBL14560453 0.80 ALDH1A1 (0.48) ALDH1A1KDM4ETDP1L3MBTL1ATM
SCHEMBL14560449 0.78 EGFR (0.47) ALDH1A1KDM4ETDP1L3MBTL1ATM
SCHEMBL14560451 0.77 HTR6 (0.47) ALDH1A1KDM4ETDP1L3MBTL1ATM
SCHEMBL14560411 0.74 ATM (0.43) ALDH1A1KDM4ETDP1L3MBTL1ATM
SCHEMBL14560439 0.72 CNR1 (0.50) RAD52ALDH1A1KDM4ESMN1; SMN2TDP1
SCHEMBL11697896 0.71 POLB (0.63) ALDH1A1SMN1; SMN2TDP1L3MBTL1MEN1
SCHEMBL27927319 0.71 RAD52 (0.51) RAD52ALDH1A1KDM4ESMN1; SMN2TDP1
SCHEMBL14560403 0.71 RAD52 (0.48) RAD52ALDH1A1KDM4ETDP1MEN1

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-7189721-B2 Bicyclic protein kinase inhibitors SUGEN INC. (US) 2007-03-13 — — US disclosed
US-7189721-B2 Bicyclic protein kinase inhibitors SUGEN INC. (US) 2007-03-13 — — US disclosed
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