SCHEMBL27876299

SCHEMBL27876299

CC(=O)N1CCc2cc(C(CBr)C(=O)C(CBr)c3ccc4c(c3)CCN4C(C)=O)ccc21

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.56
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
RECQL P46063 1/20 0.48
CYP11B1 P15538 5/20 0.47
CYP11B2 P19099 5/20 0.47
RAB9A P51151 2/20 0.46
MAPT P10636 2/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL7825717 0.85 NOTUM (0.57) NOTUMALDH1A1HPGDKDM4ERECQL
SCHEMBL27876300 0.82 NOTUM (0.53) NOTUMALDH1A1HPGDKDM4ERECQL
SCHEMBL14665068 0.81 NOTUM (0.58) NOTUMALDH1A1HPGDKDM4ERECQL
SCHEMBL27536609 0.81 NOTUM (0.61) NOTUMALDH1A1HPGDKDM4ERECQL
SCHEMBL6124253 0.80 NOTUM (0.65) NOTUMALDH1A1HPGDKDM4ERECQL
SCHEMBL16508643 0.80 NOTUM (0.57) NOTUMALDH1A1HPGDKDM4ERECQL
SCHEMBL8567499 0.79 CYP11B1 (0.65) NOTUMALDH1A1HPGDKDM4ERECQL
SCHEMBL15743832 0.78 NOTUM (0.61) NOTUMALDH1A1HPGDKDM4ERECQL
SCHEMBL5781956 0.77 NOTUM (0.53) NOTUMALDH1A1HPGDKDM4ERECQL
SCHEMBL5781952 0.77 NOTUM (0.53) NOTUMALDH1A1HPGDKDM4ERECQL

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-102482264-A 2-carbamoyl-7-piperazinyl-benzofuran derivatives 774 ASTRAZENECA AB 2012-05-30 CN disclosed