SCHEMBL7196017

SCHEMBL7196017

CC1(C(=O)[AsH]c2cccc3cc(C(=O)Nc4ccc(C#N)cc4C(=O)O)[nH]c23)CC1.CCOc1ccc(CC(=O)Nc2cccc3cc(C(=O)Nc4ccc(C#N)cc4C(=O)O)[nH]c23)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
RXFP1 Q9HBX9 1/20 0.36
POLB P06746 3/20 0.36
NLRP3 Q96P20 1/20 0.35
ALDH1A1 P00352 3/20 0.34
PKM P14618 2/20 0.34
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
ROCK2 O75116 1/20 0.34
PLK1 P53350 1/20 0.32

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
SCHEMBL7196015 0.94 POLB (0.37) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL6833113 0.89 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL6834350 0.83 ALDH1A1 (0.50) SMN1; SMN2KMT2AMEN1POLBNLRP3
SCHEMBL6834072 0.80 ALDH1A1 (0.41) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL6834504 0.80 LMNA (0.47) SMN1; SMN2KMT2AMEN1RXFP1ALDH1A1
SCHEMBL6830705 0.79 ALB (0.42) KMT2ARXFP1POLB
SCHEMBL6833683 0.79 NR1H4 (0.48) NLRP3ALDH1A1
SCHEMBL6835671 0.79 LMNA (0.39) RXFP1POLBPKMLMNATP53
SCHEMBL6834079 0.79 NHERF1 (0.44) KMT2AMEN1ALDH1A1KDM4EAKR1C2
SCHEMBL6833766 0.79 PARP14 (0.43) KMT2AMEN1ALDH1A1PKMKDM4E

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