SCHEMBL6514964

SCHEMBL6514964

COc1cccc(C(=O)Nc2cc(C(N)=O)c(NC(N)=O)s2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TSHR P16473 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
FLT3 P36888 1/20 0.53
KDM4E B2RXH2 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PARP1 P09874 1/20 0.51
RAB9A P51151 7/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
NPC1 O15118 5/20 0.51
ALDH1A1 P00352 2/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 1/20 0.50
IKBKB O14920 1/20 0.49
KCNK3 O14649 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL6507704 0.87 CHEK1 (0.49) CHEK1MEN1KMT2ANPSR1KDM4E
SCHEMBL6509621 0.87 SMN1; SMN2 (0.65) CHEK1MEN1KMT2AFLT3KDM4E
SCHEMBL6512362 0.83 IKBKB (0.57) MEN1KMT2ATSHRTDP1L3MBTL1
SCHEMBL6506340 0.82 FLT3 (0.51) MEN1KMT2ANPSR1FLT3KDM4E
SCHEMBL6510833 0.81 IKBKB (0.53) CHEK1MEN1KMT2ATDP1IKBKB
SCHEMBL6530168 0.81 IKBKB (0.62) CHEK1MEN1KMT2ANPSR1TDP1
SCHEMBL6511724 0.81 MAPT (0.51) CHEK1MEN1KMT2ANPSR1FLT3
SCHEMBL7006938 0.81 KDR (0.65) CHEK1MEN1KMT2ANPSR1KDM4E
SCHEMBL6510003 0.80 P2RX1 (0.52) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL6507728 0.80 IKBKB (0.50) MEN1KMT2AKDM4ETDP1RAB9A

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-2005105777-A1 SUBSTITUTED THIOPHENE AMIDE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA & UPJOHN COMPANY LLC (US) 2005-11-10 WO disclosed