SCHEMBL5544388

SCHEMBL5544388

COc1c(CCN)cccc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ LOXL2 Q9Y4K0 1/20 0.41
▸ TUBB4A P04350 2/20 0.39
▸ TUBB P07437 2/20 0.39
▸ TUBA3C P0DPH7 2/20 0.39
▸ TUBA1B P68363 2/20 0.39
▸ TUBA4A P68366 2/20 0.39
▸ TUBB4B P68371 2/20 0.39
▸ TUBB3 Q13509 2/20 0.39
▸ TUBB2A Q13885 2/20 0.39
▸ TUBB8 Q3ZCM7 2/20 0.39
▸ TUBA3E Q6PEY2 2/20 0.39
▸ TUBA1A Q71U36 2/20 0.39
▸ TUBA1C Q9BQE3 2/20 0.39
▸ TUBB6 Q9BUF5 2/20 0.39
▸ TUBB2B Q9BVA1 2/20 0.39
▸ TUBB1 Q9H4B7 2/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL5544381 0.82 ALDH1A1 (0.43) APPADORA3ADORA2ATUBB4ATUBB
SCHEMBL34462740 0.80 TAAR1 (0.51) TAAR1
SCHEMBL31347508 0.77 TDP1 (0.45) TAAR1MEN1KMT2ANPC1ALDH1A1
SCHEMBL4832016 0.73 TAAR1 (0.51) TAAR1KMT2AALDH1A1PTGS2HPGD
SCHEMBL9194437 0.72 DPP4 (0.58) APPLOXL2MEN1KMT2AALDH1A1
SCHEMBL28789839 0.71 POLB (0.41) APPLOXL2MEN1KMT2AALDH1A1
SCHEMBL4829716 0.71 KDM4E (0.51) TAAR1MEN1KMT2AALDH1A1MAPT
SCHEMBL13076481 0.71 KDM4E (0.51) TAAR1MEN1KMT2AALDH1A1MAPT
SCHEMBL8504212 0.70 TAAR1 (0.59) TAAR1ALDH1A1HPGDL3MBTL1
SCHEMBL7916537 0.70 TAAR1 (0.50) TAAR1CYP1A2

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-20070112523-A1 Ligands for 17i as modulators of orthopox viruses and methods for discovery thereof TRANSTECH PHAMA,INC. 2007-05-17 — — US disclosed
Send feedback