SCHEMBL11199643

SCHEMBL11199643

CCOC(CCOCc1ccccn1)=NC#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 4/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
LMNA P02545 2/20 0.35
PARP10 Q53GL7 1/20 0.35
KDM4E B2RXH2 2/20 0.35
SYK P43405 3/20 0.34
PPARG P37231 1/20 0.34
CA12 O43570 1/20 0.34

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
SCHEMBL11199642 1.00 SMN1; SMN2 (0.39) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL11198229 0.80 ALDH1A1 (0.42) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL11198225 0.80 ALDH1A1 (0.42) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL11201404 0.77 SYK (0.40) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
Hydrochloric Acid SCHEMBL11201894 0.76 SYK (0.39) SMN1; SMN2GAAALDH1A1NPC1RAB9A
SCHEMBL11195451 0.72 P2RX7 (0.36) SMN1; SMN2ALDH1A1NPC1RAB9AMAPK1
SCHEMBL11195449 0.72 P2RX7 (0.36) SMN1; SMN2ALDH1A1NPC1RAB9AMAPK1
SCHEMBL10263927 0.70 KDM4E (0.45) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL3432856 0.70 SYK (0.46) SMN1; SMN2ALDH1A1NPC1RAB9ALMNA
SCHEMBL11196636 0.70 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1NPC1RAB9ALMNA

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
US-4379158-A Antisecretory imidazole amidine compounds, composition and method of use YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1983-04-05 US disclosed
US-4252819-A ANTISECRETORY AGENTS; GASTRIC JUICE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1981-02-24 US disclosed