SCHEMBL7128527

SCHEMBL7128527

Cc1ccc(CC(=O)Nc2cccc3cc(C(=O)[AsH]c4ccc(C#N)cc4C(=O)O)[nH]c23)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 2/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
ROCK2 O75116 1/20 0.36
RORC P51449 2/20 0.35
KDM4E B2RXH2 1/20 0.35
IDO1 P14902 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
NLRP3 Q96P20 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL6834072 0.86 ALDH1A1 (0.41) PARP14LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7127481 0.85 KDM4E (0.47) LMNASMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL6834504 0.78 LMNA (0.47) PARP14LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6833157 0.78 PARP14 (0.42) PARP14LMNAALDH1A1KDM4EMEN1
SCHEMBL6833683 0.78 NR1H4 (0.48) ALDH1A1NLRP3
SCHEMBL6833766 0.77 PARP14 (0.43) PARP14LMNAALDH1A1KDM4EMEN1
SCHEMBL6835671 0.77 LMNA (0.39) PARP14LMNAMAPTMAPK1
SCHEMBL6834079 0.77 NHERF1 (0.44) PARP14LMNAALDH1A1KDM4EMEN1
SCHEMBL6834134 0.77 IDO1 (0.43) PARP14LMNAALDH1A1KDM4EIDO1
SCHEMBL7124935 0.77 CNR1 (0.32) IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed