SCHEMBL7863560

SCHEMBL7863560

COc1ccc(CN(CC(=O)NCC(C)(C)c2ccccc2)C(=O)C(Cc2c[nH]cn2)NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRAS P01112 12/20 0.70
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52
HDAC8 Q9BY41 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL7652633 1.00 HRAS (0.70) HRASFNTAFNTBHDAC8ITGB3
SCHEMBL14193151 0.95 HRAS (0.77) HRASFNTAFNTBITGB3ITGA2B
SCHEMBL7655158 0.95 HRAS (0.70) HRASFNTAFNTB
SCHEMBL8526242 0.95 HRAS (0.70) HRASFNTAFNTB
SCHEMBL7867938 0.94 HRAS (0.68) HRASFNTAFNTB
SCHEMBL7647710 0.94 HRAS (0.68) HRASFNTAFNTB
SCHEMBL7655449 0.93 HRAS (0.62) HRASFNTAFNTBMEN1KMT2A
SCHEMBL7649521 0.93 HRAS (0.68) HRASFNTAFNTB
SCHEMBL7651089 0.92 HRAS (0.67) HRASFNTAFNTB
SCHEMBL7651708 0.92 HRAS (0.67) HRASFNTAFNTB

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-6300501-B1 Histidine-(N-benzyl glycinamide) inhibitors of protein farnesyl transferase WARNER-LAMBERT COMPANY 2001-10-09 US claimed