SCHEMBL7757667

SCHEMBL7757667

C=CCn1c(Sc2ccccc2)c(CC)c(=O)[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
PKM P14618 2/20 0.52
ALDH1A1 P00352 6/20 0.43
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.42
KDM4E B2RXH2 4/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
APEX1 P27695 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TNF P01375 1/20 0.40
HPGD P15428 1/20 0.40
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
NPC1 O15118 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7756583 0.86 ALDH1A1 (0.44) LMNAPKMALDH1A1POLBKDM4E
SCHEMBL7756577 0.86 ALDH1A1 (0.44) LMNAPKMALDH1A1POLBKDM4E
SCHEMBL7758853 0.85 LMNA (0.38) LMNAPKMALDH1A1ATMKDM4E
SCHEMBL7756656 0.84 LMNA (0.38) LMNAPKMALDH1A1POLBKDM4E
SCHEMBL7756652 0.84 LMNA (0.38) LMNAPKMALDH1A1POLBKDM4E
SCHEMBL7758317 0.84 KMT2A (0.39) LMNAPKMALDH1A1POLBKDM4E
SCHEMBL7759936 0.82 TK1 (0.43) LMNAPKMALDH1A1HPGDNOD1
SCHEMBL7213295 0.81 ALDH1A1 (0.50) LMNAPKMALDH1A1POLBATM
SCHEMBL9009417 0.80 LMNA (0.47) LMNAPKMALDH1A1POLBATM
SCHEMBL7756601 0.80 ALDH1A1 (0.37) LMNAPKMALDH1A1KDM4EMEN1

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
EP-0736015-B1 ANTIVIRAL 2,4-PYRIMIDINDIONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2001-03-07 EP disclosed
US-5747500-A VIRICIDES FOR AIDS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1998-05-05 US disclosed
WO-1995018109-A1 NOVEL ANTIVIRAL 2,4-PYRIMIDINEDIONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1995-07-06 WO disclosed