SCHEMBL1027790

SCHEMBL1027790

CCNCCN(C(=O)CNCC(=O)N(C)N1Cc2ccccc2C1)c1ccc(-c2nc(C(N)=O)cs2)cc1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.34
CLK1 P49759 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
AHCY P23526 1/20 0.34
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
MAPT P10636 2/20 0.32
STS P08842 1/20 0.32
CYP2C9 P11712 1/20 0.31
SCN9A Q15858 1/20 0.31
CHEK1 O14757 1/20 0.31
TP53 P04637 4/20 0.31
HTR2B P41595 1/20 0.31
POLB P06746 1/20 0.30
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
Hydrochloric Acid SCHEMBL1197632 0.99 AHCY (0.35) ACHECLK1NPC1RAB9AAHCY
Hydrochloric Acid SCHEMBL1027888 0.93 AHCY (0.35) ACHECLK1NPC1RAB9AAHCY
SCHEMBL1026458 0.92 NAMPT (0.33) CLK1NPC1RAB9AMAPTTP53
Hydrochloric Acid SCHEMBL1026657 0.92 NAMPT (0.32) CLK1NPC1RAB9AMAPTTP53
Hydrochloric Acid SCHEMBL1025217 0.86 MAPT (0.32) CLK1NPC1RAB9AMAPTTP53
Hydrochloric Acid SCHEMBL1028342 0.85 AHCY (0.35) AHCYHSD17B1STS
Hydrochloric Acid SCHEMBL1025666 0.85 AHCY (0.35) AHCYHSD17B1HSD17B2STS
SCHEMBL11975784 0.83 AHCY (0.51) ACHECLK1NPC1RAB9AAHCY
Hydrochloric Acid SCHEMBL1028128 0.81 P2RX7 (0.36) AHCYHSD17B1HSD17B2
SCHEMBL1197482 0.80 AHCY (0.35) AHCYMAPTTP53KDM4EKMT2A

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-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP disclosed