SCHEMBL6971457

SCHEMBL6971457

CC1(C)Oc2cc([N+](=O)[O-])c(NC(=O)c3ccc(O[Si](C)(C)C(C)(C)C)cc3)cc2C2OC21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
NPC1 O15118 9/20 0.41
RAB9A P51151 8/20 0.41
MAPT P10636 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
MAPK1 P28482 4/20 0.41
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GLA P06280 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
HCAR3 P49019 1/20 0.39
KMT2A Q03164 5/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 4/20 0.35

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
SCHEMBL6978258 0.85 HCAR3 (0.52) KCNH2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6161775 0.77 KCNH2 (0.42) KCNH2MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL13951737 0.77 KCNH2 (0.42) KCNH2MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL14765557 0.77 KCNH2 (0.42) KCNH2MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL12961840 0.77 KCNH2 (0.42) KCNH2MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL6163980 0.75 KCNH2 (0.47) KCNH2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6583579 0.75 KCNH2 (0.70) KCNH2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6583582 0.75 KCNH2 (0.70) KCNH2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6163946 0.74 KCNH2 (0.44) KCNH2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL9742503 0.73 NPSR1 (0.41) KCNH2MAPTSMN1; SMN2HTTALDH1A1

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
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
EP-0934296-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-08-11 EP disclosed
WO-1998004542-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-05 WO disclosed