SCHEMBL30978010

SCHEMBL30978010

O=C1/C(=C/c2ccccc2)Nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
HPGD P15428 2/20 1.00
HTT P42858 1/20 1.00
LMNA P02545 3/20 0.58
HSD17B10 Q99714 2/20 0.58
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ALDH1A1 P00352 3/20 0.57
ALOX15 P16050 1/20 0.57
TYR P14679 1/20 0.55
APAF1 O14727 1/20 0.53
THRB P10828 1/20 0.53
BLM P54132 1/20 0.53
ALPL P05186 1/20 0.53
ALPI P09923 1/20 0.53
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
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
SCHEMBL5695453 1.00 MAPT (1.00) MAPTMEN1KMT2AHPGDHTT
SCHEMBL5695391 1.00 MAPT (1.00) MAPTMEN1KMT2AHPGDHTT
SCHEMBL10853940 0.94 MAPT (0.89) MAPTMEN1KMT2AHPGDHTT
SCHEMBL10853946 0.94 MAPT (0.89) MAPTMEN1KMT2AHPGDHTT
SCHEMBL10847571 0.89 MAPT (0.81) MAPTMEN1KMT2AHPGDHTT
SCHEMBL10847566 0.89 MAPT (0.81) MAPTMEN1KMT2AHPGDHTT
SCHEMBL5695418 0.86 MAPT (0.76) MAPTMEN1KMT2AHPGDHTT
SCHEMBL5695424 0.86 MAPT (0.76) MAPTMEN1KMT2AHPGDHTT
SCHEMBL5695395 0.86 MAPT (0.76) MAPTMEN1KMT2AHPGDHTT
SCHEMBL5695393 0.86 MAPT (0.76) MAPTMEN1KMT2AHPGDHTT

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-116162052-B Preparation method of 2-benzylidene indoline-3-ketone compound 三峡大学 2024-06-11 CN disclosed