SCHEMBL20990144

SCHEMBL20990144

O=C(Nc1ccc(Br)cc1)c1ccccn1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.67
RAB9A P51151 7/20 0.67
TLR7 Q9NYK1 1/20 0.67
SMN1; SMN2 Q16637 6/20 0.65
GRM4 Q14833 6/20 0.65
PKM P14618 3/20 0.65
MAPT P10636 2/20 0.65
PTGS2 P35354 1/20 0.61
KDM4E B2RXH2 1/20 0.61
MITF O75030 1/20 0.61
KDR P35968 3/20 0.60
TP53 P04637 1/20 0.58
MAPK1 P28482 1/20 0.58
HTT P42858 1/20 0.58
KLF5 Q13887 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58

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
SCHEMBL28790184 0.85 NPSR1 (0.57) NPC1RAB9ATLR7SMN1; SMN2GRM4
SCHEMBL231897 0.85 KDR (0.78) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL28871740 0.85 TLR7 (0.70) NPC1RAB9ATLR7SMN1; SMN2GRM4
SCHEMBL338860 0.85 TLR7 (0.57) NPC1RAB9ATLR7SMN1; SMN2GRM4
SCHEMBL28947571 0.84 NPC1 (0.67) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL29184186 0.84 KDR (0.76) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL674215 0.83 HDAC2 (0.62) NPC1RAB9ATLR7SMN1; SMN2GRM4
SCHEMBL18993402 0.83 NPC1 (0.65) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL10415452 0.83 GRM4 (0.65) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL7988912 0.83 NPC1 (0.65) NPC1RAB9ASMN1; SMN2GRM4PKM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111690947-B Electrochemical synthesis method of trifluoromethylated aryl amide derivative 浙江工业大学 2021-10-15 CN disclosed
EP-3480199-B1 IMIDAZOPYRIDINAMINE PHENYL DERIVATIVE AND USE THEREOF HANGZHOU BANGSHUN PHARMACEUTICAL CO LTD (CN) 2021-03-17 EP disclosed
CN-111690947-A Electrochemical synthesis method of trifluoromethylated aryl amide derivative 浙江工业大学 2020-09-22 CN disclosed
EP-3480199-A1 IMIDAZOPYRIDINAMINE PHENYL DERIVATIVE AND USE THEREOF Hangzhou Sanyintai Pharmaceutical Technology Co., Ltd. (CN) 2019-05-08 EP disclosed