SCHEMBL29159596

SCHEMBL29159596

Ic1cnn(C2CCCO2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.44
ALDH1A1 P00352 5/20 0.42
POLB P06746 3/20 0.42
LMNA P02545 2/20 0.42
KDM5B Q9UGL1 1/20 0.38
KMT2A Q03164 4/20 0.35
ESR1 P03372 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 3/20 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
HSD17B10 Q99714 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
SCHEMBL12552172 0.95 MPO (0.43) MPOALDH1A1POLBLMNAKDM5B
SCHEMBL25699980 0.79 ALDH1A1 (0.45) ALDH1A1POLBLMNAKDM5BKMT2A
SCHEMBL29159667 0.79 ALDH1A1 (0.42) ALDH1A1POLBLMNAKDM5BKMT2A
SCHEMBL28941507 0.78 MPO (0.43) MPO
SCHEMBL20661128 0.77 KDM5B (0.43) ALDH1A1POLBLMNAKDM5BPI4KA
SCHEMBL25478019 0.76 KDM5B (0.43) ALDH1A1POLBLMNAKDM5BKMT2A
SCHEMBL20237038 0.75 KDM5B (0.40) ALDH1A1POLBLMNAKDM5BKMT2A
SCHEMBL21962281 0.75 CYP4F2 (0.40) ALDH1A1POLBLMNAKDM5BKMT2A
SCHEMBL16353569 0.75 ALDH1A1 (0.44) ALDH1A1POLBLMNAKDM5BKMT2A
SCHEMBL1128591 0.75 KDM5B (0.40) ALDH1A1POLBLMNAKDM5BKMT2A

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