SCHEMBL31056701

SCHEMBL31056701

COC(=O)c1ccc(-c2cnc(C)cn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 2/20 0.48
MAPK1 P28482 2/20 0.47
ABL1 P00519 1/20 0.47
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA7 P43166 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
RXFP1 Q9HBX9 2/20 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
SCHEMBL29324954 1.00 TDP1 (0.50) TDP1KDM4EALDH1A1HPGDMAPK1
SCHEMBL31056870 0.83 ALDH1A1 (0.48) TDP1KDM4EALDH1A1HPGDMAPK1
SCHEMBL481659 0.83 ALOX5AP (0.49) TDP1KDM4EALDH1A1HPGDMAPK1
SCHEMBL29324953 0.83 ALDH1A1 (0.48) TDP1KDM4EALDH1A1HPGDMAPK1
SCHEMBL29598250 0.81 MAPK1 (0.61) TDP1KDM4EALDH1A1MAPK1MAPT
SCHEMBL4469903 0.81 TDP1 (0.59) TDP1KDM4EALDH1A1HPGDMAPK1
SCHEMBL31145166 0.81 TDP1 (0.59) TDP1KDM4EALDH1A1HPGDMAPK1
SCHEMBL15599290 0.78 ABL1 (0.43) TDP1ALDH1A1MAPK1ABL1SMN1; SMN2
SCHEMBL17687665 0.78 KDM4E (0.53) TDP1KDM4EALDH1A1MAPK1MAPT
SCHEMBL18818444 0.77 CA1 (0.59) TDP1KDM4EALDH1A1MAPK1MAPT

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-2024148274-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2024-07-11 WO disclosed