SCHEMBL6101289

SCHEMBL6101289

CC(C)Cn1cc2cc(Br)ccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.40
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
BACE1 P56817 1/20 0.35
LMNA P02545 3/20 0.35
RAB9A P51151 2/20 0.35
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
PPARA Q07869 1/20 0.33
DPP4 P27487 1/20 0.33
HTR7 P34969 1/20 0.33
CYP3A4 P08684 1/20 0.33
NFKB1 P19838 1/20 0.33
HTR2B P41595 1/20 0.33
HIF1A Q16665 1/20 0.33
HTT P42858 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 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
SCHEMBL28877950 0.88 HDAC8 (0.43) HDAC8HTR2AHTR2CBACE1LMNA
SCHEMBL31394878 0.84 HDAC8 (0.40) HDAC8HTR2AHTR2CBACE1LMNA
SCHEMBL1637329 0.81 HDAC8 (0.39) HDAC8BACE1RAB9ACYP1A2CYP2D6
SCHEMBL31394603 0.79 HDAC8 (0.38) HDAC8BACE1LMNARAB9ACYP1A2
SCHEMBL27553581 0.78 HDAC6 (0.33) HDAC6
SCHEMBL10173626 0.76 ALDH1A1 (0.39) HDAC8HTR2ALMNARAB9AHTR2B
SCHEMBL16569404 0.75 HDAC8 (0.40) HDAC8BACE1LMNAHTTMAPT
SCHEMBL146444 0.75 HDAC8 (0.38) HDAC8BACE1RAB9ACYP1A2CYP2D6
SCHEMBL3351415 0.75 IRAK4 (0.40) HDAC8BACE1RAB9ASMN1; SMN2MAPT
SCHEMBL21411441 0.75 IRAK4 (0.38) HDAC8BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114901664-B Pyridone compounds and uses thereof 南京再明医药有限公司 2024-07-02 CN disclosed
CN-114901664-A Pyridone compound and application thereof 江苏先声药业有限公司 2022-08-12 CN disclosed
WO-2021139775-A1 PYRIDONE COMPOUND AND APPLICATION 江苏先声药业有限公司 2021-07-15 WO disclosed
WO-2021139775-A1 PYRIDONE COMPOUND AND APPLICATION 江苏先声药业有限公司 2021-07-15 WO disclosed
CN-100509807-C Indazole derivative for pestide SINGENTA CO LTD (GB) 2009-07-08 CN disclosed
US-7112553-B1 Pesticidal indazole or benzotriazole derivatives SYNGENTA LIMITED (GB) 2006-09-26 US disclosed
CN-1535966-A Indazole derivative for pestide 2004-10-13 CN disclosed
CN-1156472-C Pesticidal benzotriazole derivatives 2004-07-07 CN disclosed
EP-1171437-B1 PESTICIDAL INDAZOLE OR BENZOTRIAZOLE DERIVATIVES SYNGENTA LTD (GB) 2003-10-08 EP disclosed
CN-1351603-A Indazole or benzotriazole derivatives for use as pesticides ZENECA LTD (GB) 2002-05-29 CN disclosed
EP-1171437-A1 PESTICIDAL INDAZOLE OR BENZOTRIAZOLE DERIVATIVES Syngenta Limited (GB) 2002-01-16 EP disclosed
WO-2000063207-A1 PESTICIDAL INDAZOLE OR BENZOTRIAZOLE DERIVATIVES SYNGENTA LIMITED (GB) 2000-10-26 WO disclosed