SCHEMBL30959976

SCHEMBL30959976

Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](c2cc(CN)no2)C(C)C)cc1

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ VHL P40337 19/20 0.83
▸ HDAC3 O15379 2/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ ELOC Q15369 3/20 0.50
▸ ELOB Q15370 3/20 0.50
▸ SMARCA2 P51531 1/20 0.50
▸ SMARCA4 P51532 1/20 0.50

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
SCHEMBL25898820 1.00 VHL (0.83) VHLHDAC3HDAC1HDAC2ELOC
SCHEMBL27285483 0.93 VHL (0.84) VHLHDAC3HDAC1HDAC2ELOC
SCHEMBL22525885 0.93 VHL (0.84) VHLHDAC3HDAC1HDAC2ELOC
SCHEMBL23945800 0.93 VHL (0.84) VHLHDAC3HDAC1HDAC2ELOC
SCHEMBL25123315 0.93 VHL (0.84) VHLHDAC3HDAC1HDAC2ELOC
SCHEMBL25898334 0.92 VHL (0.82) VHLHDAC3HDAC1HDAC2ELOC
SCHEMBL30960011 0.92 VHL (0.82) VHLHDAC3HDAC1HDAC2ELOC
SCHEMBL24461192 0.91 VHL (0.81) VHLHDAC3HDAC1HDAC2ELOC
SCHEMBL27063314 0.91 VHL (0.81) VHLHDAC3HDAC1HDAC2ELOC
SCHEMBL24654308 0.91 VHL (1.00) VHLELOCELOB

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
WO-2023141570-A9 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF KRAS ARVINAS OPERATIONS, INC. (US) 2024-06-27 — — WO disclosed
Send feedback