SCHEMBL8482250

SCHEMBL8482250

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccc(CCC(=O)c4ccccc4)cc3nc2-1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.71
▸ ALDH1A1 P00352 4/20 0.71
▸ KDM4E B2RXH2 4/20 0.71
▸ MEN1 O00255 4/20 0.71
▸ KMT2A Q03164 4/20 0.71
▸ SMN1; SMN2 Q16637 4/20 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
▸ RAB9A P51151 2/20 0.71
▸ BLM P54132 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

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
SCHEMBL27477503 1.00 TOP1 (0.71) TOP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8480473 0.94 TOP1 (0.74) TOP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL27479185 0.94 TOP1 (0.74) TOP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8485168 0.92 TOP1 (0.72) TOP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL27478766 0.90 TOP1 (0.72) TOP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8486821 0.90 TOP1 (0.72) TOP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8484226 0.89 TOP1 (0.71) TOP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL27463174 0.89 TOP1 (0.71) TOP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8481454 0.88 TOP1 (0.74) TOP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL27478375 0.88 TOP1 (0.74) TOP1ALDH1A1KDM4EMEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0777670-A1 SUBSTITUTED CAMPTOTHECIN DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.p.A. (IT) 1997-06-11 — — EP claimed
WO-1996037496-A1 SUBSTITUTED CAMPTOTHECIN DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.P.A. (IT) 1996-11-28 — — WO claimed
US-5856333-A ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 1999-01-05 — — US disclosed
EP-0777670-A1 SUBSTITUTED CAMPTOTHECIN DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.p.A. (IT) 1997-06-11 — — EP disclosed
WO-1996037496-A1 SUBSTITUTED CAMPTOTHECIN DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.P.A. (IT) 1996-11-28 — — WO disclosed
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