SCHEMBL11262078

SCHEMBL11262078

CCOC(=O)c1c2sc(NC(=O)C(N)(CC)CC)nc2c(C)c2nc(NC(=O)C(N)(CC)CC)sc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.51
▸ MAPT P10636 10/20 0.51
▸ HPGD P15428 8/20 0.51
▸ NPC1 O15118 8/20 0.51
▸ RAB9A P51151 7/20 0.51
▸ KDM4E B2RXH2 6/20 0.51
▸ SMN1; SMN2 Q16637 6/20 0.51
▸ GAA P10253 5/20 0.51
▸ HTT P42858 3/20 0.51
▸ LMNA P02545 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ MAPK1 P28482 1/20 0.41
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ NFKB1 P19838 2/20 0.39
▸ NFKB2 Q00653 2/20 0.39
▸ RELA Q04206 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ STAT1 P42224 1/20 0.38

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
SCHEMBL11259852 0.90 ALDH1A1 (0.46) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL11253900 0.82 NPC1 (0.41) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL11262084 0.78 SMN1; SMN2 (0.57) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL11270826 0.72 MAPT (0.39) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL11266785 0.71 ALDH1A1 (0.41) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL11262588 0.70 NPC1 (0.36) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL11271736 0.70 NPC1 (0.38) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL11259854 0.69 SMN1; SMN2 (0.52) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL11262070 0.68 ALDH1A1 (0.35) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL11261507 0.68 CCNE1 (0.36) ALDH1A1MAPTHPGDNPC1RAB9A

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
US-4344946-A ANTIARTHRITICS, ANTIRHEUMATICS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-17 — — US disclosed
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