SCHEMBL27479185

SCHEMBL27479185

CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(CCC(=O)c4ccccc4)ccc3nc2-1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.74
▸ ALDH1A1 P00352 4/20 0.71
▸ MEN1 O00255 4/20 0.71
▸ KMT2A Q03164 4/20 0.71
▸ SMN1; SMN2 Q16637 4/20 0.71
▸ KDM4E B2RXH2 3/20 0.71
▸ GLA P06280 3/20 0.71
▸ TP53 P04637 2/20 0.71
▸ HPGD P15428 2/20 0.71
▸ CYP3A4 P08684 2/20 0.71
▸ HBB P68871 2/20 0.71
▸ STAT6 P42226 1/20 0.71
▸ CHEK1 O14757 1/20 0.71
▸ HDAC3 O15379 1/20 0.71
▸ ABCC4 O15439 1/20 0.71
▸ GMNN O75496 1/20 0.71
▸ LMNA P02545 1/20 0.71
▸ CYP1A2 P05177 1/20 0.71
▸ HNRNPA1 P09651 1/20 0.71
▸ GAA P10253 1/20 0.71

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
SCHEMBL8480473 1.00 TOP1 (0.74) TOP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL27477503 0.94 TOP1 (0.71) TOP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8482250 0.94 TOP1 (0.71) TOP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8483707 0.92 TOP1 (0.77) TOP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL27464834 0.90 TOP1 (0.75) TOP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8483773 0.90 TOP1 (0.75) TOP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8483016 0.89 TOP1 (0.75) TOP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL27477907 0.89 TOP1 (0.75) TOP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL18296582 0.88 TOP1 (0.79) TOP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8484108 0.88 TOP1 (0.74) TOP1ALDH1A1MEN1KMT2ASMN1; SMN2

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
CN-1159192-A Substituted camptothecin derivatives and process for their preparation PHARMACIA & UPJOHN SPA (IT) 1997-09-10 — — CN claimed
CN-1159192-A Substituted camptothecin derivatives and process for their preparation PHARMACIA & UPJOHN SPA (IT) 1997-09-10 — — CN disclosed
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