SCHEMBL29612519

SCHEMBL29612519

O=[N+]([O-])c1ccc(Br)cc1NCCCO

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
MAPT P10636 2/20 0.57
KAT2B Q92831 3/20 0.50
GSTM2 P28161 1/20 0.49
BCL6 P41182 1/20 0.45
BCOR Q6W2J9 1/20 0.45
PRSS1 P07477 3/20 0.44
RAB9A P51151 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL1515031 1.00 ALDH1A1 (0.57) ALDH1A1MAPTKAT2BGSTM2BCL6
SCHEMBL420519 0.91 MAPT (0.54) ALDH1A1MAPTKAT2BGSTM2RAB9A
SCHEMBL6896294 0.88 PRSS1 (0.53) ALDH1A1MAPTKAT2BGSTM2PRSS1
SCHEMBL17678158 0.85 SMN1; SMN2 (0.57) ALDH1A1MAPTKAT2B
SCHEMBL17743314 0.83 PRSS1 (0.56) ALDH1A1MAPTKAT2BGSTM2PRSS1
SCHEMBL31638149 0.82 ALDH1A1 (0.57) ALDH1A1MAPTKAT2BGSTM2BCL6
SCHEMBL17378355 0.82 KAT2B (0.49) ALDH1A1MAPTKAT2B
SCHEMBL1842548 0.82 HCAR3 (0.52) ALDH1A1MAPTKAT2BRAB9A
SCHEMBL1046670 0.82 LMNA (0.57) ALDH1A1MAPTKAT2BRAB9ATDP1
SCHEMBL14247598 0.81 MAPT (0.53) ALDH1A1MAPTKAT2BRAB9ATSHR

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-114430743-A Thyroid hormone receptor beta agonist compounds 拓臻制药公司 2022-05-03 CN disclosed