SCHEMBL9770537

SCHEMBL9770537

CSc1ccc(N)c(C(N)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.50
IKBKB O14920 1/20 0.49
TSHR P16473 4/20 0.44
HPGD P15428 3/20 0.44
ALOX15 P16050 1/20 0.44
MAP2K2 P36507 1/20 0.44
MAP2K1 Q02750 1/20 0.44
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
BCL2A1 Q16548 1/20 0.41
HSD17B10 Q99714 2/20 0.40
GFER P55789 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL3978328 0.85 MCL1 (0.65) MCL1TSHRALOX15KMT2AKDM4E
SCHEMBL9559835 0.80 MCL1 (0.46) MCL1TSHRHPGDKMT2AKDM4E
SCHEMBL11095697 0.80 KDM4E (0.58) MCL1TSHRHPGDALOX15KDM4E
SCHEMBL11162400 0.80 HSD17B10 (0.47) MCL1TSHRHPGDALOX15KMT2A
SCHEMBL21843804 0.79 MAP2K2 (0.49) MCL1TSHRHPGDALOX15MAP2K2
Hydrochloric Acid SCHEMBL11278666 0.79 KDM4E (0.57) MCL1TSHRHPGDALOX15KDM4E
SCHEMBL4952867 0.78 TSHR (0.50) MCL1IKBKBTSHRHPGDALOX15
SCHEMBL30826508 0.77 MCL1 (0.55) MCL1TSHRHPGDALOX15MAP2K2
SCHEMBL9102881 0.77 HPGD (0.48) MCL1TSHRHPGDALOX15MAP2K2
SCHEMBL21947304 0.76 DGAT1 (0.55) MCL1TSHRHPGDALOX15MAP2K2

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
US-5030727-A Reacting an anthronilide derivative with a thiazole derivative or a fluorozuinazolone with a neucleophile BASF AKTIENGESELLSCHAFT (DE) 1991-07-09 US disclosed