SCHEMBL6975503

SCHEMBL6975503

CC1(C)Oc2cc([N+](=O)[O-])c(NC(=O)c3ccccc3)cc2[C@H](N2CCCC2)[C@H]1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.46
MAPT P10636 8/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 7/20 0.44
MAPK1 P28482 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GLA P06280 1/20 0.44
CASP3 P42574 1/20 0.44
HTT P42858 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
KCNH2 Q12809 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 4/20 0.41
WDR5 P61964 1/20 0.41
POLB P06746 2/20 0.41
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 2/20 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
SCHEMBL6975510 1.00 HCAR3 (0.46) HCAR3MAPTKMT2AALDH1A1MAPK1
SCHEMBL6975515 1.00 HCAR3 (0.46) HCAR3MAPTKMT2AALDH1A1MAPK1
SCHEMBL27530717 0.87 HCAR3 (0.47) HCAR3MAPTKMT2AALDH1A1MAPK1
SCHEMBL7421837 0.87 KCNH2 (0.57) MAPTKMT2AALDH1A1MAPK1NPC1
SCHEMBL7421839 0.87 KCNH2 (0.57) MAPTKMT2AALDH1A1MAPK1NPC1
SCHEMBL8013773 0.87 KCNH2 (0.57) MAPTKMT2AALDH1A1MAPK1NPC1
Hydrochloric Acid SCHEMBL11188914 0.86 KCNH2 (0.44) MAPTKMT2AALDH1A1MAPK1HTT
SCHEMBL11105585 0.86 KCNH2 (0.44) MAPTKMT2AALDH1A1MAPK1RAB9A
Hydrochloric Acid SCHEMBL11188912 0.86 KCNH2 (0.44) MAPTKMT2AALDH1A1MAPK1HTT
Hydrochloric Acid SCHEMBL11188921 0.86 KCNH2 (0.44) MAPTKMT2AALDH1A1MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10087650-A None JP disclosed
EP-0934296-B1 CHROMAN DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2003-06-04 EP disclosed
US-6066631-A Chroman derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-23 US disclosed
JP-H1087650-A CHROMAN DERIVATIVE NISSAN CHEM IND LTD 1998-04-07 JP disclosed