SCHEMBL22864426

SCHEMBL22864426

CP(C)C1CNc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ GAA P10253 2/20 0.32
▸ HTR5A P47898 1/20 0.31
▸ CCKBR P32239 2/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ MTNR1A P48039 1/20 0.30
▸ MTNR1B P49286 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL18883053 0.72 HTR2C (0.46) CHRNB4CHRNA3PAX8MEN1KMT2A
SCHEMBL13372443 0.72 HTR2C (0.46) CHRNB4CHRNA3PAX8MEN1KMT2A
SCHEMBL5749290 0.72 HTR2C (0.46) CHRNB4CHRNA3PAX8MEN1KMT2A
SCHEMBL548964 0.72 HTR2C (0.46) CHRNB4CHRNA3PAX8MEN1KMT2A
SCHEMBL31378005 0.72 PAX8 (0.33) CHRNB4CHRNA3PAX8MEN1KMT2A
SCHEMBL30417082 0.72 CHRNB4 (0.39) CHRNB4CHRNA3PAX8MEN1KMT2A
Hydrochloric Acid SCHEMBL30259584 0.71 HTR2C (0.44) CHRNB4CHRNA3PAX8MEN1KMT2A
Hydrochloric Acid SCHEMBL13387451 0.71 HTR2C (0.44) CHRNB4CHRNA3PAX8MEN1KMT2A
SCHEMBL13323694 0.68 CHRNB4 (0.37) CHRNB4CHRNA3PAX8MEN1KMT2A
SCHEMBL793625 0.68 CHRNB4 (0.37) CHRNB4CHRNA3PAX8MEN1KMT2A

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
WO-2021000935-A1 HPK1 INHIBITORS AND USES THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2021-01-07 — — WO disclosed
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