SCHEMBL31020164

SCHEMBL31020164

CCc1cc2cccc(Br)c2nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 8/20 0.40
BACE1 P56817 1/20 0.38
ALDH1A1 P00352 1/20 0.35
PARP1 P09874 2/20 0.34
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
PRNP P04156 1/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NOS1 P29475 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30

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
SCHEMBL21202764 0.75 ATM (0.50) ALDH1A1NPC1RAB9A
SCHEMBL6477443 0.75 BACE1 (0.44) GRM2BACE1LMNASMN1; SMN2NOS1
SCHEMBL17179173 0.74 PARP1 (0.54) GRM2BACE1ALDH1A1PARP1GABRA1
SCHEMBL6171961 0.71 PARP1 (0.59) GRM2BACE1ALDH1A1PARP1LMNA
SCHEMBL7551886 0.70 BACE1 (0.41) GRM2BACE1ALDH1A1PRNPLMNA
SCHEMBL12737723 0.69 KDM4E (0.50) ALDH1A1
SCHEMBL7983249 0.69 BACE1 (0.56) GRM2BACE1ALDH1A1LMNASMN1; SMN2
SCHEMBL10272995 0.67 BACE1 (0.36) BACE1ALDH1A1PARP1GABRA1GABRB2
SCHEMBL18424987 0.67 PDE10A (0.39) GRM2BACE1ALDH1A1LMNASMN1; SMN2
SCHEMBL29454726 0.66 ALDH1A1 (0.40) GRM2ALDH1A1PRNPSMN1; 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
CN-118234724-A Compounds and methods for modulating splicing 雷密克斯医疗公司 2024-06-21 CN disclosed