SCHEMBL29348879

SCHEMBL29348879

Fc1cc(Br)cnc1Cc1ncco1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32

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
SCHEMBL31068249 1.00 CYP1A2 (0.32) CYP1A2CYP2C9CYP2C19GRIN1KCNH2
SCHEMBL29348893 0.75 NPC1 (0.43) CYP1A2CYP2C9CYP2C19GRIN1KCNH2
SCHEMBL31637550 0.75 NPC1 (0.43) CYP1A2CYP2C9CYP2C19GRIN1KCNH2
SCHEMBL18069497 0.70 HTT (0.35) —
SCHEMBL15544326 0.70 HTT (0.35) —
SCHEMBL30581539 0.70 HTT (0.35) —
SCHEMBL29348960 0.69 MBOAT4 (0.37) —
SCHEMBL31637575 0.69 MBOAT4 (0.37) —
SCHEMBL7704422 0.69 CYP1B1 (0.32) —
SCHEMBL16213143 0.69 HTT (0.34) —

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-2024151547-A1 TARGETED DEGRADATION OF VAV1 MONTE ROSA THERAPEUTICS, INC. (US) 2024-07-18 — — WO disclosed
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