SCHEMBL9630177

SCHEMBL9630177

CC(=O)Cc1ccc(OCc2ccccn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.61
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
KDM4E B2RXH2 2/20 0.56
MAOB P27338 1/20 0.56
TSHR P16473 3/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MAPK1 P28482 2/20 0.53
HPGD P15428 1/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPT P10636 2/20 0.48
ALOX5 P09917 2/20 0.47
CYP1A2 P05177 2/20 0.47

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
SCHEMBL4013173 0.87 PARP10 (0.62) PARP10ALDH1A1SMN1; SMN2KDM4EMAOB
SCHEMBL9430917 0.86 PARP10 (0.58) PARP10ALDH1A1SMN1; SMN2KDM4EMAOB
SCHEMBL8471656 0.86 PARP10 (0.58) PARP10ALDH1A1SMN1; SMN2KDM4EMAOB
SCHEMBL2089763 0.82 PARP10 (0.73) PARP10ALDH1A1SMN1; SMN2KDM4EMAOB
SCHEMBL12310925 0.80 ALDH1A1 (0.59) PARP10ALDH1A1SMN1; SMN2KDM4EMAOB
SCHEMBL1733690 0.80 PARP10 (0.60) PARP10ALDH1A1SMN1; SMN2KDM4EMAOB
SCHEMBL68570 0.80 ALOX5 (0.69) PARP10ALDH1A1SMN1; SMN2MAOBNPC1
Ammonia Solution, Strong SCHEMBL23291159 0.78 ALDH1A1 (0.58) PARP10ALDH1A1SMN1; SMN2KDM4EMAOB
SCHEMBL1193236 0.78 PARP10 (0.59) PARP10ALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL11996178 0.78 PARP10 (0.63) PARP10ALDH1A1SMN1; SMN2KDM4EMAOB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5153210-A Hypoglycemic agent, animal growth regulator; veterinary medicine BEECHAM GROUP P.L.C. (GB) 1992-10-06 US disclosed
EP-0236624-A2 Substituted phenyl ethanol amines, processes for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1987-09-16 EP disclosed
US-4110457-A HYPOTENSIVE, CARDIOACTIVE CIBA-GEIGY CORPORATION (US) 1978-08-29 US disclosed