SCHEMBL29956715

SCHEMBL29956715

CCOC(=O)c1nn2cc(Br)ccc2c1C=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.46
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TARBP2 Q15633 1/20 0.41
LMNA P02545 3/20 0.40
CYP19A1 P11511 2/20 0.40
RAB9A P51151 4/20 0.39
ADORA3 P0DMS8 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
NPC1 O15118 3/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL29955892 0.81 ELANE (0.45) ELANEMAPTSMN1; SMN2ALDH1A1TARBP2
SCHEMBL30710766 0.80 CYP19A1 (0.49) ELANEMAPTSMN1; SMN2TARBP2LMNA
SCHEMBL25150416 0.76 HTT (0.50) ELANEMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL29952019 0.75 ELANE (0.44) ELANEMAPTSMN1; SMN2ALDH1A1
SCHEMBL29955507 0.74 SPR (0.40) ELANEMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL23360824 0.74 ELANE (0.46) ELANEMAPTALDH1A1TARBP2LMNA
SCHEMBL32663296 0.73 SMN1; SMN2 (0.42) ELANEMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL2288847 0.71 LMNA (0.49) MAPTSMN1; SMN2ALDH1A1LMNARAB9A
SCHEMBL20477246 0.71 CYP19A1 (0.54) MAPTSMN1; SMN2ALDH1A1LMNACYP19A1
SCHEMBL7613 0.70 ALDH1A1 (0.57) MAPTALDH1A1RAB9ANPC1HTT

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed