SCHEMBL28612434

SCHEMBL28612434

Cc1ccc2c(c1)C(=O)CC(c1ccc(Cl)cc1)N2.NNC(=O)Nc1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 1/20 0.42
IDH1 O75874 1/20 0.40
KDM4E B2RXH2 1/20 0.37
CNR1 P21554 4/20 0.36
FPR2 P25090 3/20 0.36
FPR1 P21462 2/20 0.36
TP53 P04637 2/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.35
LIG1 P18858 1/20 0.35
GRIK1 P39086 1/20 0.35

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
SCHEMBL28598799 0.95 IDH1 (0.38) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL28598858 0.95 IDH1 (0.38) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL28919939 0.94 MAPT (0.40) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL28599139 0.93 GRIK1 (0.40) SMN1; SMN2MEN1KMT2ARAB9AIDH1
SCHEMBL28614923 0.93 GRIK1 (0.40) SMN1; SMN2MEN1KMT2ARAB9AIDH1
SCHEMBL28606032 0.92 GRIK1 (0.41) MEN1KMT2AIDH1CNR1FPR2
SCHEMBL28612430 0.92 MAOA (0.40) SMN1; SMN2RAB9AFPR2FPR1TP53
SCHEMBL28617961 0.91 ALDH1A1 (0.40) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL28617934 0.90 ALDH1A1 (0.39) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL28606070 0.89 GRIK1 (0.42) MAPTMEN1KMT2ARAB9ACNR1

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-108558756-B 2-aryl-2, 3-dihydro-4 (1H) -quinolinone semicarbazone compound and application thereof 沈阳药科大学 2021-08-03 CN claimed