SCHEMBL30133222

SCHEMBL30133222

Oc1ccc2ccc(CN3CCCCC3)cc2c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.55
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
CHKA P35790 1/20 0.50
HRH4 Q9H3N8 1/20 0.50
KMT2A Q03164 1/20 0.50
PKM P14618 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MAOA P21397 1/20 0.47
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL30133210 0.98 HRH3 (0.52) HRH3ALDH1A1SMN1; SMN2POLBHTT
SCHEMBL6305023 0.93 HRH3 (0.53) HRH3ALDH1A1SMN1; SMN2POLBHTT
Bromide SCHEMBL2924741 0.92 HRH3 (0.52) HRH3ALDH1A1SMN1; SMN2POLBHTT
SCHEMBL11268814 0.83 HRH3 (0.53) HRH3ALDH1A1SMN1; SMN2POLBHTT
Hydrochloric Acid SCHEMBL11272072 0.81 HRH3 (0.52) HRH3ALDH1A1SMN1; SMN2POLBHTT
SCHEMBL5195380 0.81 KMT2A (0.74) HRH3ALDH1A1SMN1; SMN2POLBHTT
SCHEMBL31010303 0.81 KMT2A (0.74) HRH3ALDH1A1SMN1; SMN2POLBHTT
SCHEMBL1888525 0.80 HRH3 (0.78) HRH3ALDH1A1SMN1; SMN2POLBHRH4
Hydrochloric Acid SCHEMBL16825143 0.79 KMT2A (0.72) HRH3ALDH1A1SMN1; SMN2POLBHTT
SCHEMBL31097161 0.79 KMT2A (0.77) HRH3CHKAKMT2APKM

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-115605596-A Compositions and methods for inducible alternative splicing modulation of gene expression 费城儿童医院(US) 2023-01-13 CN disclosed