SCHEMBL7368929

SCHEMBL7368929

O=c1c2ncccc2c(-c2ccc3c(c2)OCO3)nn1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50
USP2 O75604 2/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 2/20 0.47
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
GLO1 Q04760 1/20 0.44
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
RAB9A P51151 3/20 0.43

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
SCHEMBL7366064 0.91 NPSR1 (0.53) TSHRNPSR1USP2ATMSMN1; SMN2
SCHEMBL8693757 0.82 PDE5A (0.51) NPSR1SMN1; SMN2HTTALDH1A1KDM4E
SCHEMBL7367860 0.80 HTT (0.47) SMN1; SMN2HTTALDH1A1KDM4EHSD17B10
SCHEMBL7364301 0.80 HTT (0.47) SMN1; SMN2HTTALDH1A1KDM4EHSD17B10
SCHEMBL7363896 0.78 L3MBTL1 (0.58) NPSR1HTTALDH1A1KDM4EPDE4A
SCHEMBL7368041 0.77 NPSR1 (0.50) NPSR1HTTALDH1A1KDM4EPDE4A
SCHEMBL7361593 0.77 NPSR1 (0.53) TSHRNPSR1USP2HTTALDH1A1
SCHEMBL7365746 0.77 PDE4A (0.56) SMN1; SMN2HTTALDH1A1KDM4EADORA2A
SCHEMBL7364737 0.76 HPGD (0.53) NPSR1HTTPDE4APDE4BPDE4C
SCHEMBL7359586 0.76 PDE4A (0.57) TSHRNPSR1USP2SMN1; SMN2HTT

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-5716954-A ANTIINFLAMMATORY AGENT, ANTIHISTAMINES, IMMUNOSUPPRESSION,AUTOIMMUNE DISEASES SYNTEX U.S.A. INC. (US) 1998-02-10 US disclosed
EP-0612321-A1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1994-08-31 EP disclosed
WO-1993007146-A1 BENZO AND PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1993-04-15 WO disclosed