SCHEMBL5746639

SCHEMBL5746639

Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC=O)cn3C)cn2C)cc1C(N)=O

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRAS P01112 7/20 0.68
▸ ESR1 P03372 7/20 0.68
▸ ESR2 Q92731 7/20 0.68
▸ TOP1 P11387 2/20 0.68
▸ KDM4E B2RXH2 1/20 0.67
▸ POLB P06746 1/20 0.67
▸ MAPT P10636 1/20 0.67
▸ HIF1A Q16665 1/20 0.67
▸ AURKA O14965 4/20 0.40
▸ CDK1 P06493 4/20 0.40
▸ AURKB Q96GD4 4/20 0.40
▸ HPSE Q9Y251 3/20 0.39
▸ CCNC P24863 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ P2RY12 Q9H244 1/20 0.35
▸ TP53 P04637 1/20 0.34

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
SCHEMBL5746730 1.00 HRAS (0.68) HRASESR1ESR2TOP1KDM4E
SCHEMBL5748174 0.87 TOP1 (0.62) HRASESR1ESR2TOP1KDM4E
SCHEMBL14002822 0.87 TOP1 (0.62) HRASESR1ESR2TOP1KDM4E
SCHEMBL5749627 0.87 TOP1 (0.62) HRASESR1ESR2TOP1KDM4E
SCHEMBL5745871 0.87 TOP1 (0.62) HRASESR1ESR2TOP1KDM4E
SCHEMBL5746633 0.86 HRAS (0.65) HRASESR1ESR2TOP1KDM4E
SCHEMBL5746729 0.86 HRAS (0.65) HRASESR1ESR2TOP1KDM4E
SCHEMBL7125320 0.83 HRAS (0.83) HRASESR1ESR2TOP1KDM4E
SCHEMBL23627239 0.82 HRAS (0.48) HRASESR1ESR2TOP1KDM4E
SCHEMBL25857874 0.82 HRAS (0.48) HRASESR1ESR2TOP1KDM4E

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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