SCHEMBL5735832

SCHEMBL5735832

OCc1ccccc1-c1nc(-c2ccccc2)no1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 1/20 0.70
CHUK O15111 1/20 0.64
CASP3 P42574 1/20 0.64
TXNRD1 Q16881 1/20 0.64
SENP8 Q96LD8 1/20 0.64
SENP7 Q9BQF6 1/20 0.64
SENP6 Q9GZR1 1/20 0.64
NOX4 Q9NPH5 1/20 0.64
NOTUM Q6P988 2/20 0.63
MAPT P10636 7/20 0.62
SMN1; SMN2 Q16637 7/20 0.62
ALDH1A1 P00352 5/20 0.62
L3MBTL1 Q9Y468 4/20 0.62
MAPK1 P28482 4/20 0.62
TSHR P16473 4/20 0.62
NFKB1 P19838 3/20 0.62
NFKB2 Q00653 3/20 0.62
RELA Q04206 3/20 0.62
TP53 P04637 2/20 0.62
ATM Q13315 2/20 0.62

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
SCHEMBL28240691 0.84 GPR55 (0.65) GPR55CHUKCASP3TXNRD1SENP8
SCHEMBL7961737 0.80 GPR55 (0.59) GPR55CHUKCASP3TXNRD1SENP8
SCHEMBL5736756 0.78 CASP3 (1.00) GPR55CHUKCASP3TXNRD1SENP8
SCHEMBL17595755 0.78 NOTUM (1.00) GPR55NOTUMMAPTSMN1; SMN2ALDH1A1
SCHEMBL1957044 0.75 MAPT (0.45) GPR55CHUKCASP3TXNRD1SENP8
SCHEMBL28653242 0.75 SMN1; SMN2 (1.00) GPR55CHUKCASP3TXNRD1SENP8
SCHEMBL28642673 0.75 RAB9A (1.00) GPR55CHUKCASP3TXNRD1SENP8
SCHEMBL7399348 0.75 GPR55 (0.71) GPR55CHUKCASP3TXNRD1SENP8
SCHEMBL1473020 0.74 NR1H4 (1.00) GPR55CHUKCASP3TXNRD1SENP8
SCHEMBL117091 0.74 PDCD1 (0.65) ALDH1A1MAPK1TSHRHPGDHSD17B10

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-0934288-B1 OXADIAZOLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2006-01-04 EP disclosed
US-6277872-B1 ANTIISCHEMIC AGENTS; BRAIN DISORDERS BOEHRINGER INGELHEIM KG (DE) 2001-08-21 US disclosed
EP-0934288-A1 OXADIAZOLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 1999-08-11 EP disclosed
WO-1998017652-A1 OXADIAZOLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1998-04-30 WO disclosed