SCHEMBL7312733

SCHEMBL7312733

COc1[c]c(CBr)ccc1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 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
SCHEMBL456883 0.81 SMN1; SMN2 (0.33) SMN1; SMN2KDM4EALDH1A1MAPK1
SCHEMBL7313642 0.80 NQO1 (0.33) ALDH1A1
SCHEMBL18706209 0.79 TAAR1 (0.32) SMN1; SMN2KDM4EALDH1A1MAPK1
SCHEMBL18705840 0.79 SMN1; SMN2 (0.32) SMN1; SMN2KDM4EALDH1A1MAPK1
SCHEMBL11503610 0.78 ALOX5 (0.32) SMN1; SMN2
SCHEMBL18705611 0.78 HTR7 (0.36) SMN1; SMN2ALDH1A1
SCHEMBL7314203 0.77 KMT2A (0.33)
SCHEMBL11612858 0.77 TRPA1 (0.36) ALDH1A1
SCHEMBL57641 0.77 ALDH1A1 (0.41) SMN1; SMN2KDM4EALDH1A1MAPK1
SCHEMBL18706347 0.76 HTR7 (0.35) SMN1; SMN2KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0634396-B1 Amino acid derivatives and their use as inhibitors of encephalinase BIOPROJET SOC CIV (FR) 1998-10-28 EP disclosed
EP-0634396-A1 Amino acid derivatives and their use as inhibitors of encephalinase SOCIETE CIVILE BIOPROJET (FR) 1995-01-18 EP disclosed