SCHEMBL29348773

SCHEMBL29348773

C[C@@H]1COC(=O)N1c1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ATM Q13315 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
IDH1 O75874 4/20 0.37
CYP3A4 P08684 4/20 0.37
CYP2C9 P11712 4/20 0.37
CYP2C19 P33261 3/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
ALOX15 P16050 2/20 0.37
MAPT P10636 2/20 0.37
THRB P10828 1/20 0.37
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
CCR1 P32246 1/20 0.36
CCR2 P41597 1/20 0.36
HSD11B1 P28845 2/20 0.35

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
SCHEMBL29348775 1.00 MEN1 (0.40) MEN1KMT2AATMRXFP1IDH1
SCHEMBL29348772 1.00 MEN1 (0.40) MEN1KMT2AATMRXFP1IDH1
SCHEMBL8585033 0.82 NOTUM (0.44) MEN1KMT2AIDH1ALDH1A1MAPT
SCHEMBL6883044 0.82 NOTUM (0.44) MEN1KMT2AIDH1ALDH1A1MAPT
SCHEMBL6871051 0.82 NOTUM (0.44) MEN1KMT2AIDH1ALDH1A1MAPT
SCHEMBL850457 0.80 TSHR (0.45) IDH1ALDH1A1TSHRMAPTLMNA
SCHEMBL2365947 0.79 USP2 (0.46) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL2365942 0.79 USP2 (0.46) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL29348974 0.77 MEN1 (0.38) MEN1KMT2AATMRXFP1CYP3A4
SCHEMBL5429899 0.74 IDH1 (0.51) MEN1KMT2AIDH1CYP2C9CYP2C19

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