SCHEMBL31056870

SCHEMBL31056870

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 2/20 0.46
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA7 P43166 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
RHEB Q15382 1/20 0.43
MAP2K4 P45985 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A3 P47895 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL29324953 1.00 ALDH1A1 (0.48) ALDH1A1KDM4EMAPK1MAPTSMN1; SMN2
SCHEMBL29324954 0.83 TDP1 (0.50) ALDH1A1KDM4EMAPK1MAPTSMN1; SMN2
SCHEMBL31056701 0.83 TDP1 (0.50) ALDH1A1KDM4EMAPK1MAPTSMN1; SMN2
SCHEMBL481659 0.81 ALOX5AP (0.49) ALDH1A1KDM4EMAPK1MAPTSMN1; SMN2
SCHEMBL2952102 0.81 MAPT (0.51) ALDH1A1KDM4EMAPK1MAPTSMN1; SMN2
SCHEMBL2952147 0.81 KDM4E (0.50) ALDH1A1KDM4EMAPK1MAPTSMN1; SMN2
SCHEMBL38659193 0.81 KDM4E (0.50) ALDH1A1KDM4EMAPK1MAPTSMN1; SMN2
SCHEMBL29598250 0.80 MAPK1 (0.61) ALDH1A1KDM4EMAPK1MAPTSMN1; SMN2
SCHEMBL836841 0.80 MAPK1 (0.49) ALDH1A1KDM4EMAPK1MAPTSMN1; SMN2
SCHEMBL4412321 0.78 MAPT (0.55) ALDH1A1KDM4EMAPK1MAPTSMN1; SMN2

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