SCHEMBL5778912

SCHEMBL5778912

Cn1cc(N(C(=O)O)c2cc(NC=O)cn2C)cc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRAS P01112 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ TOP1 P11387 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ AR P10275 1/20 0.35
▸ MEN1 O00255 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL4855585 0.81 HRAS (0.50) HRASESR1TOP1ESR2POLB
SCHEMBL5749627 0.73 TOP1 (0.62) HRASESR1TOP1ESR2POLB
SCHEMBL5745871 0.73 TOP1 (0.62) HRASESR1TOP1ESR2POLB
SCHEMBL9226064 0.69 ALDH1A1 (0.34) TOP1KDM4EMAPTMEN1CYP2C9
SCHEMBL4850168 0.68 HRAS (0.49) HRASESR1TOP1ESR2POLB
SCHEMBL14002833 0.66 TOP1 (0.54) HRASESR1TOP1ESR2POLB
SCHEMBL14441973 0.63 CYP2C9 (0.43) HRASESR1TOP1ESR2POLB
SCHEMBL1441399 0.63 HDAC8 (0.47) POLBKDM4EARMEN1CYP2C9
SCHEMBL5750357 0.62 HRAS (0.58) HRASESR1TOP1ESR2POLB
SCHEMBL5748174 0.62 TOP1 (0.62) HRASESR1TOP1ESR2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020446-B1 NAPHTHALIMIDOBENZAMIDE DERIVATIVES TAIHO PHARMACEUTICAL CO LTD (JP) 2006-03-15 — — EP disclosed
US-6300331-B1 DRUGS AS ANTITUMOR AGENTS OR ANTICARCINOGENIC AGENTS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 — — US disclosed
EP-1020446-A1 NAPHTHALIMIDOBENZAMIDE DERIVATIVES TAIHO PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 — — EP disclosed
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