SCHEMBL9404923

SCHEMBL9404923

COc1ccc(NC(=O)OCc2ccccc2)c2c1N(C(C)=O)CCC2=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ FAAH O00519 1/20 0.42
▸ MGLL Q99685 1/20 0.42
▸ MAOB P27338 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ F10 P00742 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ CA1 P00915 5/20 0.39
▸ CA2 P00918 5/20 0.39
▸ ACHE P22303 5/20 0.39
▸ TP53 P04637 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ KAT2B Q92831 1/20 0.39

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
SCHEMBL9404922 0.88 NPC1 (0.52) NPC1RAB9AFAAHMGLLMAOB
SCHEMBL9404959 0.76 NPC1 (0.47) KMT2ANPC1RAB9AFAAHMGLL
SCHEMBL7655197 0.70 RAB9A (0.49) KMT2ANPC1RAB9AMGLLMAOB
SCHEMBL5223936 0.68 KMT2A (0.62) KMT2ANPC1RAB9AMGLLMAOB
SCHEMBL9524227 0.68 NPC1 (0.56) KMT2ANPC1RAB9AFAAHMGLL
SCHEMBL5783658 0.68 HTT (0.59) KMT2ANPC1RAB9AMAOBMEN1
SCHEMBL9404943 0.68 NPC1 (0.55) NPC1RAB9AFAAHMGLLMAOB
SCHEMBL10163089 0.67 KMT2A (0.58) KMT2ANPC1RAB9AMGLLMAOB
SCHEMBL3038608 0.67 MGLL (0.58) KMT2ANPC1RAB9AMGLLMEN1
SCHEMBL10489859 0.67 KDM4E (0.60) KMT2ANPC1RAB9AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0296597-B1 Hexa-cyclic compound DAIICHI SEIYAKU CO (JP) 1994-09-21 — — EP disclosed
US-5061795-A ANTITUMOR AGENTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1991-10-29 — — US disclosed
US-4939255-A Hexa-cyclic camptothecin derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1990-07-03 — — US disclosed
EP-0296597-A2 Hexa-cyclic compound DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1988-12-28 — — EP disclosed
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