SCHEMBL6562475

SCHEMBL6562475

[O]C(=O)OCc1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.61
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
LMNA P02545 1/20 0.61
PARP10 Q53GL7 1/20 0.53
MAPT P10636 3/20 0.51
PGR P06401 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
PTPRA P18433 1/20 0.47
CYP1A2 P05177 3/20 0.46
HPGD P15428 2/20 0.46
CASP3 P42574 2/20 0.46
SENP8 Q96LD8 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
SENP6 Q9GZR1 2/20 0.46
MAPK1 P28482 2/20 0.46

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
SCHEMBL20509994 0.86 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9ALMNAPARP10
SCHEMBL11377704 0.85 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9ALMNAPARP10
SCHEMBL11234908 0.83 NPC1 (0.59) SMN1; SMN2NPC1RAB9ALMNAPARP10
SCHEMBL17424653 0.83 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ALMNAPARP10
SCHEMBL533732 0.83 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ALMNAPARP10
SCHEMBL442124 0.83 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ALMNAPARP10
SCHEMBL6223872 0.83 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ALMNAPARP10
SCHEMBL7442406 0.83 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ALMNAPARP10
Hydrochloric Acid SCHEMBL7607601 0.81 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ALMNAPARP10
Hydrochloric Acid SCHEMBL27540845 0.81 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ALMNAPARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1085009-B1 INDAN DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2004-11-10 EP disclosed
EP-0934296-B1 CHROMAN DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2003-06-04 EP disclosed
US-6486178-B1 Indane derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-26 US disclosed
EP-1085009-A1 INDAN DERIVATIVES Nissan Chemical Industries, Ltd. (JP) 2001-03-21 EP disclosed
US-6066631-A Chroman derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-23 US disclosed
WO-2000012492-A1 BENZOXAZINE DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-09 WO 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