SCHEMBL8329040

SCHEMBL8329040

CCOc1cc2c(O)ccnc2nc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 4/20 0.39
MAPK1 P28482 3/20 0.39
CYP3A4 P08684 2/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
DRD1 P21728 1/20 0.39
TBXA2R P21731 1/20 0.39
PDE4A P27815 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39
KCNH2 Q12809 1/20 0.39
PDE3A Q14432 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL8321420 0.82 SMN1; SMN2 (0.39) KMT2ASMN1; SMN2MEN1MAPK1CYP3A4
SCHEMBL8562455 0.80 GAA (0.34) KMT2ASMN1; SMN2MEN1MAPK1LMNA
SCHEMBL8567323 0.78 MAPKAPK2 (0.46) KMT2AMEN1TDP1ALDH1A1ALOX5
SCHEMBL8561272 0.77 GAK (0.37) KMT2ASMN1; SMN2MEN1PIK3C3GAA
SCHEMBL8565727 0.77 KDM4E (0.33) KMT2ASMN1; SMN2MEN1MAPK1CYP3A4
Hydrochloric Acid SCHEMBL8560744 0.76 GAK (0.36) KMT2ASMN1; SMN2MEN1MAPK1CYP3A4
SCHEMBL8566892 0.75 POLB (0.39) KMT2AMEN1CYP3A4LMNACYP1A2
SCHEMBL8324401 0.75 POLB (0.37) KMT2ASMN1; SMN2MEN1PIK3C3KDM4E
SCHEMBL8561182 0.75 HSD17B10 (0.36) KMT2ASMN1; SMN2MEN1MAPK1CYP3A4
Hydrochloric Acid SCHEMBL8326683 0.74 POLB (0.36) KMT2ASMN1; SMN2MEN1MAPK1CYP3A4

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-0705260-B1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AG (DE) 1999-03-03 EP disclosed
EP-0618916-B1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES KNOLL AG (DE) 1998-09-23 EP disclosed
US-5780482-A TREATING RHEUMATIC DISEASES KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
EP-0705260-A1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AKTIENGESELLSCHAFT (DE) 1996-04-10 EP disclosed
US-5464781-A TREATING RHEUMATIC DISEASES THE BOOTS COMPANY PLC (GB) 1995-11-07 US disclosed
WO-1995000511-A1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AG (DE) 1995-01-05 WO disclosed
EP-0618916-A1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES Knoll AG (DE) 1994-10-12 EP disclosed
WO-1993013097-A1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1993-07-08 WO disclosed