SCHEMBL30896337

SCHEMBL30896337

CN1CCCc2cc(Br)c(N)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
GAA P10253 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 4/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 4/20 0.35
KDM4E B2RXH2 5/20 0.34
CASP1 P29466 2/20 0.34
TNKS O95271 2/20 0.34
PARP1 P09874 2/20 0.34
TNKS2 Q9H2K2 2/20 0.34
GLA P06280 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.32
PKM P14618 1/20 0.32
INMT O95050 2/20 0.31
BRD4 O60885 1/20 0.31
BRD2 P25440 1/20 0.31
WDR5 P61964 1/20 0.31
TSHR P16473 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
SCHEMBL12428932 0.84 HSD17B10 (0.46) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL24405342 0.81 HSD17B10 (0.50) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL20563009 0.79 ALDH1A1 (0.44) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL14283936 0.76 ALDH1A1 (0.44) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL22476657 0.73 ALDH1A1 (0.42) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL15628980 0.72 ALDH1A1 (0.50) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL520908 0.71 BRD4 (0.51) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL30464716 0.71 ALDH1A1 (0.58) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL31716065 0.71 ALDH1A1 (0.58) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL1453685 0.71 ALDH1A1 (0.58) ALDH1A1GAAMEN1KMT2AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4612128-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF HEMOGLOBINOPATHIES Bristol-Myers Squibb Company (US) 2025-09-10 EP disclosed
WO-2024097932-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF HEMOGLOBINOPATHIES BRISTOL-MYERS SQUIBB COMPANY (US) 2024-05-10 WO disclosed