SCHEMBL30469493

SCHEMBL30469493

Cn1cc(NC(=O)c2cc(NC(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(=N)N)n(C)c4)n(C)c3)cn2C)cc1C(=O)NCCC(=N)N

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRAS P01112 14/20 0.79
ESR1 P03372 13/20 0.79
ESR2 Q92731 13/20 0.79
TOP1 P11387 2/20 0.79
KDM4E B2RXH2 1/20 0.77
POLB P06746 1/20 0.77
MAPT P10636 1/20 0.77
HIF1A Q16665 1/20 0.77
HPSE Q9Y251 3/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL7510361 0.90 HRAS (0.76) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL10688614 0.89 KDM4E (0.76) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL9124388 0.89 KDM4E (0.76) HRASESR1ESR2TOP1KDM4E
SCHEMBL29394871 0.89 HRAS (0.78) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL6548715 0.89 KDM4E (0.76) HRASESR1ESR2TOP1KDM4E
SCHEMBL17577320 0.89 HRAS (0.73) HRASESR1ESR2TOP1KDM4E
SCHEMBL14002814 0.88 HRAS (1.00) HRASESR1ESR2TOP1KDM4E
Stallimycin SCHEMBL108585 0.88 HRAS (1.00) HRASESR1ESR2TOP1KDM4E
SCHEMBL14267762 0.87 TOP1 (0.74) HRASESR1ESR2TOP1KDM4E
Stallimycin SCHEMBL193003 0.87 KDM4E (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230206689-A1 METHODS AND APPARATUS TO MEASURE FACIAL ATTENTION ARES CAPITAL CORPORATION 2023-06-29 US disclosed