SCHEMBL31056256

SCHEMBL31056256

O=C(O)c1cc(Br)cc2nc[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
AKR1C1 Q04828 2/20 0.42
AKR1C4 P17516 1/20 0.42
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 3/20 0.37
GLA P06280 1/20 0.37
CHEK1 O14757 1/20 0.37
PIM1 P11309 1/20 0.37
AKT1 P31749 1/20 0.37
FLT3 P36888 1/20 0.37
PIM3 Q86V86 1/20 0.37
KDM5A P29375 9/20 0.36
KDM5B Q9UGL1 8/20 0.36
KDM4C Q9H3R0 4/20 0.36
KDM4A O75164 2/20 0.35
DHODH Q02127 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL2424869 1.00 AKR1C3 (0.42) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL25395312 0.81 NR4A2 (0.41) HSD17B10CHEK1ALDH1A1HTT
SCHEMBL30591117 0.81 NR4A2 (0.41) HSD17B10CHEK1ALDH1A1HTT
SCHEMBL11664276 0.81 ALDH1A1 (0.37) KDM4EKDM5AKDM5BKDM4CKDM4A
SCHEMBL29260808 0.79 DYRK1A (0.43) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL15093627 0.79 ACLY (0.40) KDM4EKDM5AKDM5BKDM4CKDM4A
SCHEMBL2431491 0.77 KDM4E (0.43) HSD17B10KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL31056515 0.76 MEN1 (0.33) HSD17B10CHEK1PIM1AKT1FLT3
SCHEMBL15093877 0.76 PARP1 (0.44) HSD17B10KDM4EKDM5AKDM5BKDM4C
SCHEMBL2919938 0.74 CYP3A4 (0.46) KDM4EALDH1A1SMN1; SMN2HTTKMT2A

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-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed