SCHEMBL10080321

SCHEMBL10080321

CCCCOCCCN1CCc2cc(C=O)cc(Br)c21

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
GRM5 P41594 1/20 0.31
ALDH1A1 P00352 2/20 0.30
ALDH3A1 P30838 1/20 0.30
ALDH1A3 P47895 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 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
SCHEMBL6468215 0.83 APOBEC3A (0.33) APOBEC3AAPOBEC3GGRM5ALDH1A1MEN1
SCHEMBL4543357 0.82 TEAD3 (0.43) ALDH1A1MEN1GAAKMT2A
SCHEMBL6468593 0.79 MEN1 (0.48) APOBEC3AAPOBEC3GALDH1A1ALDH1A3MEN1
SCHEMBL24574472 0.69 THRA (0.49) ALDH1A1ALDH3A1ALDH1A3MEN1GAA
SCHEMBL24574283 0.69 THRA (0.49) ALDH1A1ALDH3A1ALDH1A3MEN1GAA
SCHEMBL6468545 0.68 FBP1 (0.35) GAAMAPT
SCHEMBL7487588 0.67 MEN1 (0.55) APOBEC3AAPOBEC3GGRM5ALDH1A1ALDH1A3
SCHEMBL16749907 0.65 NPSR1 (0.46) ALDH1A1MEN1GAAKMT2A
SCHEMBL10080603 0.65 SOAT1 (0.33) ALDH1A1HPGD
SCHEMBL7035542 0.65 MEN1 (0.52) APOBEC3AAPOBEC3GGRM5ALDH1A1ALDH1A3

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-2012062229-A1 A METHOD OF MANUFACTURING (-)-L-(3-HYDROXYPROPYL)-5-[(2R)-2-({2,2,2-TRIFLUOROETHOXY)- PHENOXYETHYL}AMINO)PROPYL]-2,3-DIHYDRO-LH-INDOLE-7-CARBOXAMIDE ZENTIVA, K.S. (CZ) 2012-05-18 WO disclosed