SCHEMBL11201404

SCHEMBL11201404

CCOC(=N)CCOCc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.40
AURKB Q96GD4 2/20 0.40
INCENP Q9NQS7 2/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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 SCHEMBL11201894 0.99 SYK (0.39) SYKAURKBINCENPNPC1RAB9A
Hydrochloric Acid SCHEMBL9314574 0.77 LMNA (0.45) LMNAALDH1A1KDM4ECA12CA1
SCHEMBL11199642 0.77 SMN1; SMN2 (0.39) SYKAURKBINCENPNPC1RAB9A
SCHEMBL11199643 0.77 SMN1; SMN2 (0.39) SYKAURKBINCENPNPC1RAB9A
SCHEMBL10263927 0.76 KDM4E (0.45) SYKAURKBINCENPNPC1RAB9A
SCHEMBL11197179 0.76 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL3432856 0.76 SYK (0.46) SYKAURKBINCENPNPC1RAB9A
Hydrochloric Acid SCHEMBL11193716 0.75 LMNA (0.48) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
Hydrochloric Acid SCHEMBL17654896 0.74 ALDH1A1 (0.47) SYKAURKBINCENPNPC1RAB9A
SCHEMBL11229653 0.74 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2LMNAALDH1A1

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