SCHEMBL20067652

SCHEMBL20067652

Cc1cn2cc(NC(=O)c3ccc(O)cc3)ccc2n1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.70
SNCA P37840 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAP3K5 Q99683 1/20 0.48
TP53 P04637 1/20 0.47
NQO2 P16083 1/20 0.46
DEGS1 O15121 1/20 0.46
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
AURKA O14965 1/20 0.45
TAS2R8 Q9NYW2 1/20 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
SCHEMBL12286563 0.84 MCHR1 (0.51) MCHR1SNCANPC1RAB9AMAP3K5
SCHEMBL20067634 0.83 MCHR1 (0.50) MCHR1SNCANQO2DEGS1MEN1
SCHEMBL22457376 0.83 MCHR1 (0.73) MCHR1SNCANPC1RAB9AMAP3K5
SCHEMBL13920889 0.82 MCHR1 (1.00) MCHR1
SCHEMBL22288989 0.82 MCHR1 (0.49) MCHR1SNCANPC1RAB9ANQO2
SCHEMBL20374775 0.82 MCHR1 (0.72) MCHR1SNCANPC1RAB9AMAP3K5
SCHEMBL22239367 0.82 MCHR1 (0.49) MCHR1SNCANPC1RAB9AMAP3K5
SCHEMBL22289012 0.81 KDM4E (0.53) MCHR1NPC1RAB9APOLBKMT2A
SCHEMBL17919519 0.81 EGLN1 (0.48) MCHR1SNCANPC1RAB9AMAP3K5
SCHEMBL15223848 0.81 MCHR1 (0.49) MCHR1SNCAMAP3K5NQO2DEGS1

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 2 patents. 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
WO-2018069375-A1 NON-LINEAR SELF-IMMOLATIVE LINKERS AND CONJUGATES THEREOF SYNTHON BIOPHARMACEUTICALS B.V. (NL) 2018-04-19 WO disclosed