SCHEMBL22239367

SCHEMBL22239367

CC(=S)c1cn2cc(NC(=O)c3ccc(O)cc3)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.49
SNCA P37840 1/20 0.45
EGLN1 Q9GZT9 1/20 0.44
NQO2 P16083 1/20 0.42
MAP3K5 Q99683 1/20 0.42
ESRRG P62508 1/20 0.42
DEGS1 O15121 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL12286563 0.90 MCHR1 (0.51) MCHR1SNCAEGLN1NQO2MAP3K5
SCHEMBL22288989 0.86 MCHR1 (0.49) MCHR1SNCAEGLN1NQO2DEGS1
SCHEMBL17919519 0.85 EGLN1 (0.48) MCHR1SNCAEGLN1NQO2MAP3K5
SCHEMBL18792372 0.84 MCHR1 (0.51) MCHR1SNCAEGLN1NQO2MAP3K5
SCHEMBL12392220 0.84 MCHR1 (0.52) MCHR1SNCAEGLN1MAP3K5
SCHEMBL15223848 0.84 MCHR1 (0.49) MCHR1SNCAEGLN1NQO2MAP3K5
SCHEMBL15223973 0.84 SNCA (0.46) MCHR1SNCAEGLN1NQO2DEGS1
SCHEMBL22289012 0.82 KDM4E (0.53) MCHR1EGLN1ESRRGNPC1RAB9A
SCHEMBL20067652 0.82 MCHR1 (0.70) MCHR1SNCANQO2MAP3K5DEGS1
SCHEMBL20067634 0.79 MCHR1 (0.50) MCHR1SNCANQO2DEGS1POLB

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
EP-3525826-B1 NON-LINEAR SELF-IMMOLATIVE LINKERS AND CONJUGATES THEREOF BYONDIS BV (NL) 2020-07-22 EP disclosed