SCHEMBL11289272

SCHEMBL11289272

COc1ccc2c(ccc3c2nc(-c2ccc(OCC(=O)O)cc2)n3C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PARP1 P09874 1/20 0.47
MCL1 Q07820 3/20 0.45
LMNA P02545 2/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PPARD Q03181 3/20 0.41
DYRK1A Q13627 2/20 0.41
PPARA Q07869 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
HTR1A P08908 1/20 0.41
PPARG P37231 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41

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
SCHEMBL11287469 0.86 MEN1 (0.47) KDM4EMEN1KMT2ATDP1PARP1
Hydrochloric Acid SCHEMBL11086416 0.84 PARP1 (0.51) KDM4EMEN1KMT2APARP1LMNA
SCHEMBL11076059 0.83 TLR7 (0.48) KDM4EMEN1KMT2ATDP1PARP1
SCHEMBL11086406 0.81 PARP1 (0.46) KDM4EMEN1KMT2APARP1LMNA
SCHEMBL11078271 0.81 PARP1 (0.50) KDM4EPARP1LMNAALDH1A1HPGD
SCHEMBL11076859 0.79 APP (0.44) KDM4EPARP1LMNAALDH1A1HPGD
SCHEMBL11080835 0.77 PARP1 (0.46) KDM4EMEN1KMT2APARP1LMNA
SCHEMBL11081129 0.76 PARP1 (0.48) KDM4EMEN1KMT2APARP1ALDH1A1
SCHEMBL11083854 0.76 PARP1 (0.46) PARP1ADRB2ADORA2A
Hydrochloric Acid SCHEMBL11077145 0.75 PARP1 (0.52) KDM4EMEN1KMT2APARP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4340607-A Antimicrobial 3H-naphtho[1,2-d]imidazoles GRUPPO LEPETIT S.P.A. (IT) 1982-07-20 US disclosed
EP-0012866-A1 New 3H-naphtho(1,2-d)imidazoles, processes for preparing them, compounds for use as antiinflammatory and antimicrobial agents and compositions for that use containing them GRUPPO LEPETIT S.P.A. (IT) 1980-07-09 EP disclosed