SCHEMBL29097618

SCHEMBL29097618

Cc1ccc(C(=O)NN=C2CCOc3c(F)cccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
HPGD P15428 1/20 0.54
RAB9A P51151 10/20 0.53
ALDH1A1 P00352 4/20 0.53
CYP3A4 P08684 2/20 0.53
NPC1 O15118 8/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
POLB P06746 2/20 0.50
CYP2C9 P11712 1/20 0.50
SMN1; SMN2 Q16637 6/20 0.48
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 3/20 0.44

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
SCHEMBL29097353 0.86 HPGD (0.47) MAPTKMT2AMEN1HPGDRAB9A
SCHEMBL23678332 0.80 MAPT (0.58) MAPTKMT2AMEN1HPGDRAB9A
SCHEMBL20205669 0.80 MAPT (0.58) MAPTKMT2AMEN1HPGDRAB9A
SCHEMBL29097616 0.78 ALDH1A1 (0.50) MAPTKMT2AMEN1HPGDRAB9A
SCHEMBL29097585 0.78 ALDH1A1 (0.62) MAPTKMT2AMEN1HPGDRAB9A
SCHEMBL30665404 0.77 MAPT (0.47) MAPTKMT2AMEN1HPGDRAB9A
SCHEMBL29097295 0.73 LMNA (0.45) MAPTKMT2AMEN1HPGDRAB9A
SCHEMBL30989926 0.72 LMNA (0.40) MAPTKMT2AMEN1HPGDRAB9A
SCHEMBL1266361 0.72 LMNA (0.40) MAPTKMT2AMEN1HPGDRAB9A
SCHEMBL25937578 0.72 LMNA (0.40) MAPTKMT2AMEN1HPGDRAB9A

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-116947713-A Ring-merging compound and application thereof 中国科学院上海药物研究所 2023-10-27 CN disclosed