SCHEMBL28899170

SCHEMBL28899170

Cn1cc(I)c(=O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
L3MBTL1 Q9Y468 3/20 0.46
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 3/20 0.43
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
F2R P25116 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F2RL3 Q96RI0 1/20 0.40
CASP1 P29466 1/20 0.39
CASP3 P42574 1/20 0.39
CASP4 P49662 1/20 0.39
CASP7 P55210 1/20 0.39
CASP9 P55211 1/20 0.39
CASP6 P55212 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL30095468 1.00 MAPT (0.49) MAPTL3MBTL1MEN1KMT2ALMNA
SCHEMBL18096563 0.89 MAPT (0.53) MAPTL3MBTL1MEN1KMT2ALMNA
SCHEMBL28362553 0.82 MAPT (0.49) MAPTL3MBTL1MEN1KMT2ALMNA
SCHEMBL11126322 0.79 MAPT (0.50) MAPTL3MBTL1MEN1KMT2ALMNA
SCHEMBL10746517 0.79 CDK2 (0.53) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL29027035 0.77 MAPT (0.53) MAPTL3MBTL1MEN1KMT2ALMNA
SCHEMBL20507307 0.77 MAPT (0.56) MAPTL3MBTL1MEN1KMT2ALMNA
SCHEMBL9400557 0.76 MAPT (0.51) MAPTL3MBTL1MEN1KMT2ALMNA
SCHEMBL30095501 0.75 BRPF1 (0.40) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL28899206 0.75 BRPF1 (0.40) MAPTMEN1KMT2ASMN1; SMN2NPC1

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
CN-109456308-B Heterocyclic compounds as ASK inhibitors and their use 南京圣和药业股份有限公司 2022-11-29 CN disclosed
CN-109456308-A Heterocyclic compound and its application as ASK inhibitor 南京圣和药业股份有限公司 2019-03-12 CN disclosed