SCHEMBL4451021

SCHEMBL4451021

Cc1ccc(NC(=O)Cn2cnc3cccc(C(=O)O)c32)cc1C

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.67
HTT P42858 2/20 0.67
RXFP1 Q9HBX9 2/20 0.56
HPGD P15428 2/20 0.50
TSHR P16473 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 4/20 0.48
CYP1A2 P05177 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 2/20 0.47
GUSB P08236 1/20 0.47
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
USP2 O75604 1/20 0.46
POLB P06746 3/20 0.46
TP53 P04637 1/20 0.45

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
SCHEMBL3035200 0.89 SMN1; SMN2 (0.65) SMN1; SMN2HTTRXFP1HPGDTSHR
SCHEMBL4453253 0.87 SMN1; SMN2 (0.58) SMN1; SMN2HTTRXFP1TDP1LMNA
SCHEMBL3031989 0.83 SMN1; SMN2 (0.65) SMN1; SMN2HTTRXFP1HPGDTSHR
SCHEMBL3039155 0.82 SMN1; SMN2 (0.64) SMN1; SMN2HTTRXFP1HPGDTSHR
SCHEMBL4453414 0.82 MEN1 (0.66) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL4453735 0.82 POLB (0.47) SMN1; SMN2HTTLMNAMEN1KMT2A
SCHEMBL4453442 0.81 SMN1; SMN2 (0.62) SMN1; SMN2HTTRXFP1HPGDTSHR
SCHEMBL4457091 0.79 SMN1; SMN2 (0.53) SMN1; SMN2HTTRXFP1LMNAALDH1A1
SCHEMBL4973246 0.77 SMN1; SMN2 (0.66) SMN1; SMN2HTTRXFP1TDP1LMNA
SCHEMBL3038535 0.77 HTT (0.56) SMN1; SMN2HTTLMNACYP1A2MEN1

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
EP-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 EP claimed