SCHEMBL29215987

SCHEMBL29215987

Cn1cc(CN2CCOCC2)c2cc(Br)ccc21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.47
LMNA P02545 3/20 0.47
GLA P06280 1/20 0.47
HTR6 P50406 3/20 0.47
HSD17B10 Q99714 2/20 0.46
CYP2A13 Q16696 2/20 0.46
ALOX15 P16050 2/20 0.46
MAPK1 P28482 1/20 0.46
ICMT O60725 2/20 0.45
CCR5 P51681 1/20 0.44
CNR2 P34972 2/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL3357664 0.84 HRH3 (0.47) HRH3LMNAGLAHSD17B10CYP2A13
SCHEMBL13537253 0.79 HRH3 (0.48) HRH3LMNAGLAHTR6HSD17B10
SCHEMBL3358883 0.79 CTSB (0.59) HRH3LMNAHTR6CNR2
SCHEMBL29215998 0.76 CYP2A13 (0.40) HRH3HSD17B10CYP2A13ALOX15MAPK1
SCHEMBL28566679 0.76 ADRB2 (0.41) LMNAHTR6
SCHEMBL3358110 0.76 HRH3 (0.55) HRH3LMNAGLAHSD17B10CYP2A13
SCHEMBL5254444 0.75 CYP2C9 (0.58) HRH3HSD17B10CYP2A13ALOX15CCR5
SCHEMBL2802106 0.74 CYP2A13 (0.61) LMNAHSD17B10CYP2A13ALOX15MAPK1
SCHEMBL13537351 0.73 HRH3 (0.55) HRH3LMNAGLAHSD17B10CYP2A13
SCHEMBL4468135 0.73 HSD17B10 (0.51) HSD17B10CYP2A13ALOX15CCR5CYP2C9

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-116444523-A Compounds as SMARCA2 inhibitors and uses thereof 南京圣和药业股份有限公司 2023-07-18 CN disclosed