SCHEMBL6819320

SCHEMBL6819320

N#Cc1ccc(NC(=O)c2onc3ccc(NC(=O)C4CCC4)cc23)c(C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 3/20 0.45
IP6K3 Q96PC2 3/20 0.45
IP6K2 Q9UHH9 3/20 0.45
GBA1 P04062 5/20 0.39
ALB P02768 2/20 0.39
GLA P06280 1/20 0.39
LRRK2 Q5S007 2/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 3/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRM4 Q14833 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL6835810 0.86 ALB (0.39) IP6K1IP6K3IP6K2GBA1ALB
SCHEMBL6818719 0.84 ALB (0.39) ALBLRRK2
SCHEMBL6818082 0.84 F2 (0.50) IP6K1IP6K3IP6K2ALBLRRK2
SCHEMBL6818947 0.81 ALB (0.42) ALBLRRK2
SCHEMBL6818988 0.81 LMNA (0.49) KDM4EHSD17B10ALDH1A1
SCHEMBL6818466 0.81 KDM4C (0.43) ALBLRRK2
SCHEMBL6819716 0.81 PRSS12 (0.47) IP6K1IP6K3IP6K2ALBPOLB
SCHEMBL6814346 0.80 ALB (0.42) ALBKDM4EMAPTPOLBTSHR
SCHEMBL7129786 0.80 ALB (0.42) ALBALDH1A1
SCHEMBL6818221 0.79 ALB (0.44) ALBMAPTSMN1; SMN2

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