SCHEMBL31091978

SCHEMBL31091978

COc1cc(N2CCC2)ccc1Br

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.53
SUV39H2 Q9H5I1 3/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPK1 P28482 1/20 0.45
SIRT6 Q8N6T7 1/20 0.43
SLC16A3 O15427 2/20 0.43
SLC16A1 P53985 2/20 0.43
HIF1A Q16665 2/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
PTPN1 P18031 1/20 0.41

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
SCHEMBL23705839 1.00 ALDH1A1 (0.55) ALDH1A1LMNASUV39H2MEN1KMT2A
SCHEMBL807418 0.95 ALDH1A1 (0.58) ALDH1A1LMNASUV39H2MEN1KMT2A
SCHEMBL5528296 0.86 MAPK1 (0.49) ALDH1A1LMNASUV39H2MEN1KMT2A
SCHEMBL2384047 0.86 SIRT6 (0.58) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL807233 0.85 MEN1 (0.54) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL30602381 0.85 MEN1 (0.54) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL255446 0.85 CHRNB2 (0.60) LMNAMAPTCHRNB2CHRNA4
Hydrochloric Acid SCHEMBL2869885 0.83 CHRNB2 (0.58) LMNAMAPTCHRNB2CHRNA4
SCHEMBL16432036 0.83 ALDH1A1 (0.47) ALDH1A1LMNASUV39H2MEN1KMT2A
SCHEMBL3469564 0.82 MAPK1 (0.43) ALDH1A1LMNASUV39H2MEN1KMT2A

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
CN-115297861-B Compounds and uses thereof 福宏治疗公司 2024-07-12 CN disclosed