SCHEMBL29348960

SCHEMBL29348960

Brc1ccc(Cc2ncco2)nc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MBOAT4 Q96T53 1/20 0.37
▸ GBA1 P04062 1/20 0.36
▸ GRM2 Q14416 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL31637575 1.00 MBOAT4 (0.37) MBOAT4GBA1GRM2CYP1B1KDM4E
SCHEMBL29965595 0.82 GBA1 (0.33) MBOAT4GBA1GRM2CYP1B1
SCHEMBL28685675 0.82 GBA1 (0.33) MBOAT4GBA1GRM2CYP1B1
SCHEMBL24553904 0.77 KDM4E (0.34) CYP1B1KDM4EALDH1A1
SCHEMBL29683072 0.77 KDM4E (0.34) CYP1B1KDM4EALDH1A1
SCHEMBL6643942 0.77 EPHX2 (0.42) CYP1B1
SCHEMBL2750287 0.73 ALDH1A1 (0.44) ALDH1A1
SCHEMBL7704422 0.72 CYP1B1 (0.32) CYP1B1
SCHEMBL29348902 0.71 GBA1 (0.40) MBOAT4GBA1GRM2KDM4EALDH1A1
SCHEMBL29348879 0.69 CYP1A2 (0.32) —

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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