SCHEMBL6156586

SCHEMBL6156586

CC(C)(c1ccccc1)n1nnc(-c2ccc(C=O)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
ALOX5 P09917 1/20 0.36
AOC3 Q16853 2/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
MGLL Q99685 2/20 0.34
CYP2A6 P11509 1/20 0.34
RAB9A P51151 2/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL7352872 0.90 ABCG2 (0.41) POLBSMN1; SMN2L3MBTL1ALOX5ALDH1A1
SCHEMBL4617609 0.85 SMN1; SMN2 (0.56) POLBSMN1; SMN2L3MBTL1TSHRMAPK1
SCHEMBL7348668 0.84 POLB (0.40) POLBSMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL6187421 0.83 AOC3 (0.47) POLBSMN1; SMN2L3MBTL1TSHRMAPK1
SCHEMBL6155 0.78 POLB (0.39) POLBSMN1; SMN2L3MBTL1TSHRALDH1A1
SCHEMBL4638150 0.76 AGTR1 (0.45) POLBSMN1; SMN2ALOX5ALDH1A1CYP2A6
SCHEMBL7352477 0.76 ABCG2 (0.41) POLBSMN1; SMN2L3MBTL1TSHRMAPK1
SCHEMBL7772778 0.73 ABCG2 (0.44) POLBSMN1; SMN2L3MBTL1TSHRMAPK1
SCHEMBL6264 0.71 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1LMNACYP2A6RAB9A
SCHEMBL4415031 0.71 SMN1; SMN2 (0.60) POLBSMN1; SMN2L3MBTL1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0900210-B1 ANTIVIRALLY ACTIVE HETEROCYCLIC AZAHEXANE DERIVATIVES NOVARTIS AG (CH) 2005-02-09 EP disclosed
US-6300519-B1 REACTING HYDRAZINE DERIVATIVE WITH EPOXIDE COMPOUND NOVARTIS FINANCE CORPORATION 2001-10-09 US disclosed
US-6166004-A Combinations of HIV protease inhibitors with reverse transcriptase inhibitors NOVARTIS FINANCE CORPORATION (US) 2000-12-26 US disclosed
US-6110946-A AN ENZYME INHIBITORS OF RETROVIRAL ASPARTATE PROTEASE FOR THE TREATMENT OF AIDS NOVARTIS FINANCE CORPORATION (US) 2000-08-29 US disclosed