SCHEMBL30836634

SCHEMBL30836634

Cc1c(Br)cccc1NC(=O)c1ccc(C=O)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HDAC1 Q13547 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ATM Q13315 1/20 0.40
NTRK1 P04629 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
BTK Q06187 1/20 0.38
POLB P06746 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
SCHEMBL30836826 0.81 PTGER4 (0.43) KDM4ERXFP1HDAC1NPC1RAB9A
SCHEMBL149172 0.80 AGER (0.53) NPC1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL19785837 0.76 KDR (0.46) KDM4ERXFP1NPC1RAB9ASMN1; SMN2
SCHEMBL19779555 0.75 ATM (0.43) KDM4ERXFP1NPC1RAB9AMAPT
SCHEMBL31145808 0.75 PDCD1 (0.49) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL20539477 0.75 PDCD1 (0.49) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL16320563 0.75 NPC1 (0.50) KDM4ERXFP1HDAC1NPC1RAB9A
SCHEMBL19986428 0.74 AVPR2 (0.51) KDM4ERXFP1NPC1RAB9AMAPT
SCHEMBL29782472 0.74 NPC1 (0.49) KDM4EHDAC1NPC1RAB9ASMN1; SMN2
SCHEMBL16320407 0.74 NPC1 (0.49) KDM4EHDAC1NPC1RAB9ASMN1; 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-2024069448-A1 SUBSTITUTED 1-ARYLAMINOCARBONYL-1'-HETEROARYL COMPOUNDS, SUBSTITUTED 1-HETEROARYLAMINOCARBONYL-1'-HETEROARYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-04-04 WO disclosed