SCHEMBL7480837

SCHEMBL7480837

CCCCCSc1nc(Cl)c([N+](=O)[O-])c(Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.43
HASPIN Q8TF76 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
ALPL P05186 1/20 0.36
GPR84 Q9NQS5 8/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL1829942 0.95 HASPIN (0.44) TLR7HASPINSMN1; SMN2LMNAMAPT
SCHEMBL1254741 0.89 TLR7 (0.51) TLR7HASPINSMN1; SMN2LMNAMAPT
SCHEMBL10074072 0.82 HASPIN (0.40) TLR7HASPINSMN1; SMN2MAPTALDH1A1
SCHEMBL16019753 0.80 TLR7 (0.47) TLR7HASPINLMNAMAPTALDH1A1
SCHEMBL7564825 0.79 TLR7 (0.47) TLR7HASPINSMN1; SMN2LMNAMAPT
SCHEMBL26640974 0.78 TLR7 (0.39) TLR7HASPINMAPTALDH1A1
SCHEMBL11679118 0.77 PDE4A (0.38) TLR7HASPINSMN1; SMN2LMNAMAPT
SCHEMBL14889085 0.77 TLR7 (0.45) TLR7HASPINMAPTALDH1A1MAPK1
SCHEMBL22130771 0.77 TLR7 (0.45) TLR7HASPINSMN1; SMN2LMNAMAPT
SCHEMBL11857075 0.76 HASPIN (0.44) HASPINSMN1; SMN2LMNANPC1MAPK1

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-0840740-B1 NEW INHIBITORS OF PLATELET AGGREGATION ASTRAZENECA AB (SE) 2002-05-02 EP disclosed
US-5747496-A Inhibitors of platelet aggregation ASTRA PHARMACEUTICALS LIMITED (GB) 1998-05-05 US disclosed