SCHEMBL11845573

SCHEMBL11845573

CCCN(C(=O)O)c1ccc(Cl)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.40
MAPK1 P28482 2/20 0.40
NPC1 O15118 2/20 0.40
GLA P06280 1/20 0.40
PTK2 Q05397 1/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.37
NFKB1 P19838 1/20 0.36
CASP3 P42574 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36

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
SCHEMBL27681546 0.80 TRPA1 (0.39) HCAR3L3MBTL1MAPK1NPC1GLA
Hydrochloric Acid SCHEMBL14908614 0.77 PTK2 (0.37) HCAR3L3MBTL1MAPK1NPC1GLA
SCHEMBL5511513 0.76 POLB (0.57) MAPK1ALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL4065147 0.74 ALDH1A1 (0.45) HCAR3NPC1ALDH1A1RAB9AMAPT
SCHEMBL11446239 0.74 PTK2 (0.41) HCAR3L3MBTL1PTK2TDP1CYP1A2
Hydrochloric Acid SCHEMBL11456751 0.72 BLM (0.38) HCAR3L3MBTL1PTK2ALDH1A1TDP1
SCHEMBL27768259 0.71 L3MBTL1 (0.42) L3MBTL1NPC1PTK2ALDH1A1RAB9A
SCHEMBL11456896 0.71 PTK2 (0.38) L3MBTL1MAPK1NPC1GLAPTK2
SCHEMBL477493 0.69 PKM (0.50) HCAR3L3MBTL1NPC1ALDH1A1RAB9A
SCHEMBL11446382 0.69 L3MBTL1 (0.35) HCAR3L3MBTL1MAPK1NPC1PTK2

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-3969362-A FUNGICIDE ISHIHARA SANGYO KAISHA LTD. (JA) 1976-07-13 US disclosed