SCHEMBL10710100

SCHEMBL10710100

O=C(O)NCCNC(=O)c1cc(Cl)ccn1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.55
KMT2A Q03164 6/20 0.51
MEN1 O00255 3/20 0.51
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PSMB8 P28062 1/20 0.47
BACE1 P56817 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL14894349 0.94 KMT2A (0.55) KDM4CKMT2AMEN1NPC1RAB9A
SCHEMBL620675 0.87 KDM4C (0.54) KDM4CKMT2AMEN1NPC1RAB9A
SCHEMBL6072144 0.84 L3MBTL1 (0.55) KDM4CKMT2AMEN1NPC1RAB9A
SCHEMBL3504843 0.84 MAOB (0.63) KDM4CKMT2AMEN1NPC1RAB9A
SCHEMBL27983390 0.84 KDM4C (0.51) KDM4CKMT2AMEN1NPC1RAB9A
SCHEMBL14691569 0.83 KDM4C (0.47) KDM4CKMT2AMEN1NPC1RAB9A
Hydrochloric Acid SCHEMBL10710861 0.83 MAOB (0.61) KDM4CKMT2AMEN1NPC1RAB9A
SCHEMBL6072210 0.82 HIF1A (0.59) NPC1RAB9AMAPT
SCHEMBL14904964 0.82 KMT2A (0.52) KDM4CKMT2AMEN1NPC1RAB9A
SCHEMBL27918571 0.82 ALDH1A1 (0.52) KDM4CKMT2AMEN1NPC1RAB9A

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-4764522-A ANTIDEPRESSANT, ANTIPARKINSON DISEASE HOFFMANN-LA ROCHE INC. (US) 1988-08-16 US disclosed