SCHEMBL29159667

SCHEMBL29159667

Brc1cnn(C2CCCO2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
POLB P06746 3/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM5B Q9UGL1 1/20 0.36
ESR1 P03372 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.34
MEN1 O00255 3/20 0.33
HSD17B10 Q99714 2/20 0.33
TP53 P04637 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
APEX1 P27695 1/20 0.33
PI4KA P42356 1/20 0.33
BLM P54132 1/20 0.33
ADCY1 Q08828 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33

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
SCHEMBL584036 0.95 KDM5B (0.40) ALDH1A1POLBLMNAKMT2ASMN1; SMN2
SCHEMBL25699980 0.83 ALDH1A1 (0.45) ALDH1A1POLBLMNAKMT2ASMN1; SMN2
SCHEMBL29159596 0.79 MPO (0.44) ALDH1A1POLBLMNAKMT2ASMN1; SMN2
SCHEMBL30241924 0.79 ALDH1A1 (0.35) ALDH1A1POLBLMNAKMT2ASMN1; SMN2
SCHEMBL1565909 0.78 KDM5B (0.42) ALDH1A1POLBLMNAKMT2AKDM5B
SCHEMBL18279470 0.77 KDM5B (0.43) ALDH1A1POLBLMNAKMT2ASMN1; SMN2
SCHEMBL23292106 0.76 KDM5B (0.44) ALDH1A1POLBLMNAKMT2ASMN1; SMN2
SCHEMBL25478019 0.76 KDM5B (0.43) ALDH1A1POLBLMNAKMT2ASMN1; SMN2
SCHEMBL12552172 0.75 MPO (0.43) ALDH1A1POLBLMNAKMT2ASMN1; SMN2
SCHEMBL20237038 0.75 KDM5B (0.40) ALDH1A1POLBLMNAKMT2ASMN1; SMN2

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-117580824-A Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2024-02-20 CN disclosed