SCHEMBL29000802

SCHEMBL29000802

COc1nc(Cl)cc(N2CC(C)OC(C)C2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.40
HRH4 Q9H3N8 1/20 0.40
PRKDC P78527 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALOX12 P18054 1/20 0.38
RAB9A P51151 1/20 0.38
LRRK2 Q5S007 2/20 0.37
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAP3K12 Q12852 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL29000800 1.00 KMT2A (0.50) KMT2AALDH1A1KDM4EGAANPSR1
SCHEMBL21796797 0.82 KDM4E (0.44) KMT2AALDH1A1KDM4EGAANPSR1
SCHEMBL21797060 0.82 KDM4E (0.44) KMT2AALDH1A1KDM4EGAANPSR1
SCHEMBL18399046 0.82 LRRK2 (0.41) KMT2ALMNAHRH4LRRK2
SCHEMBL26604079 0.81 KMT2A (0.55) KMT2AALDH1A1KDM4EGAANPSR1
SCHEMBL26604101 0.81 KMT2A (0.55) KMT2AALDH1A1KDM4EGAANPSR1
SCHEMBL25141999 0.81 HRH4 (0.39) LMNAHRH4LRRK2
SCHEMBL20905952 0.81 HRH4 (0.39) LMNAHRH4LRRK2
SCHEMBL23554796 0.79 LRRK2 (0.47) LMNAHRH4LRRK2
SCHEMBL18399090 0.76 CYP1A2 (0.60) KMT2AALDH1A1KDM4EGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116120291-B Indazole compound, preparation method and application thereof 英矽智能科技(上海)有限公司 2023-06-30 CN disclosed
CN-116120291-A Indazole compound, preparation method and application thereof 英矽智能科技(上海)有限公司 2023-05-16 CN disclosed