SCHEMBL30724142

SCHEMBL30724142

COc1ccc2cc(C(=O)c3ccc(N4CCN(c5ccc(Cl)cc5)CC4)cc3)oc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
SOD1 P00441 1/20 0.50
CYP1A2 P05177 2/20 0.48
MAPT P10636 8/20 0.48
ALDH1A1 P00352 4/20 0.48
HTT P42858 2/20 0.48
KDM4E B2RXH2 2/20 0.48
APP P05067 1/20 0.48
RECQL P46063 1/20 0.47
DRD4 P21917 4/20 0.47
DRD2 P14416 3/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
PMP22 Q01453 1/20 0.47
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL30724137 0.93 ALDH1A1 (0.52) KMT2AMEN1CYP1A2MAPTALDH1A1
SCHEMBL30724119 0.93 DRD4 (0.56) KMT2AMEN1SOD1CYP1A2MAPT
SCHEMBL30724150 0.90 APP (0.58) KMT2AMEN1CYP1A2MAPTALDH1A1
SCHEMBL11110472 0.90 HPGD (0.56) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL30724143 0.87 KMT2A (0.52) KMT2AMEN1SOD1MAPTALDH1A1
SCHEMBL30724132 0.86 ACHE (0.59) KMT2ACYP1A2MAPTALDH1A1KDM4E
SCHEMBL30724135 0.80 NPC1 (0.57) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL11112195 0.80 FLT3 (0.58) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL30724139 0.75 NPC1 (0.54) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL5503814 0.74 ALDH1A1 (0.65) KMT2AMEN1CYP1A2MAPTALDH1A1

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
WO-2023234891-A2 NOVEL ACETYLCHOLINESTERASE INHIBITORS ISTANBUL MEDIPOL UNIVERSITESI (TR) 2023-12-07 WO disclosed