SCHEMBL7213295

SCHEMBL7213295

CCCCn1c(Sc2ccccc2)c(CC)c(=O)[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
PKM P14618 2/20 0.49
GAA P10253 2/20 0.46
ATM Q13315 2/20 0.46
GLA P06280 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TSHR P16473 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
TNF P01375 1/20 0.42
NOD2 Q9HC29 1/20 0.42
ADORA2B P29275 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PDE4A P27815 1/20 0.40

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
SCHEMBL599846 0.81 ALDH1A1 (0.41) ALDH1A1PKMMEN1KMT2ASMN1; SMN2
SCHEMBL7757667 0.81 LMNA (0.52) ALDH1A1PKMGAAATMMEN1
SCHEMBL7756601 0.81 ALDH1A1 (0.37) ALDH1A1PKMMEN1KMT2ASMN1; SMN2
SCHEMBL7756577 0.80 ALDH1A1 (0.44) ALDH1A1PKML3MBTL1MEN1KMT2A
SCHEMBL7756583 0.80 ALDH1A1 (0.44) ALDH1A1PKML3MBTL1MEN1KMT2A
SCHEMBL7536902 0.79 SMN1; SMN2 (0.50) ALDH1A1PKMGAAATMGLA
SCHEMBL7758853 0.79 LMNA (0.38) ALDH1A1PKMGAAATMMEN1
SCHEMBL9597854 0.79 ALDH1A1 (0.53) ALDH1A1PKMATMMEN1KMT2A
SCHEMBL7067258 0.78 ALDH1A1 (0.35) ALDH1A1PKMGAAMEN1KMT2A
SCHEMBL7756652 0.78 LMNA (0.38) ALDH1A1PKMKMT2ASMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE37979-E1 Pyrimidine derivatives and anti-viral agent containing the same as active ingredient thereof MITSUBISHI CHEMICAL CORPORATION 2003-02-04 US disclosed
EP-0829476-B1 6-Substituted acyclopyrimidine nucleoside derivatives and antiviral agent containing the same as active ingredient thereof MITSUBISHI CHEM CORP (JP) 2002-08-28 EP disclosed
EP-0829476-A2 6-Substituted acyclopyrimidine nucleoside derivatives and antiviral agent containing the same as active ingredient thereof Mitsubishi Chemical Corporation (JP) 1998-03-18 EP disclosed
US-5461060-A Antiretroviral activity MITSUBISHI KASEI CORPORATION (JP) 1995-10-24 US disclosed
EP-0420763-A2 6-Substituted acyclopyrimidine nucleoside derivatives and antiviral agent containing the same as active ingredient thereof Mitsubishi Chemical Corporation (JP) 1991-04-03 EP disclosed