SCHEMBL6948863

SCHEMBL6948863

COC(=O)c1c([N+](=O)[O-])cc(OC)c(OC)c1OS(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
VCAM1 P19320 1/20 0.43
PKM P14618 1/20 0.43
POLB P06746 2/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40
ABCB1 P08183 3/20 0.40

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
SCHEMBL27775659 0.88 SMN1; SMN2 (0.53) SMN1; SMN2PKMPOLBTUBB4ATUBB
SCHEMBL7657936 0.81 SMN1; SMN2 (0.46) SMN1; SMN2PKMPOLBABCB1ABCC1
SCHEMBL6948699 0.80 SMN1; SMN2 (0.50) SMN1; SMN2PKMPOLBTUBB4ATUBB
SCHEMBL6953716 0.77 PDE5A (0.44) SMN1; SMN2PKMPOLBTUBB4ATUBB
SCHEMBL31451828 0.76 SMN1; SMN2 (0.49) SMN1; SMN2PKMPOLBTUBB4ATUBB
SCHEMBL5963109 0.75 PKM (0.59) PKMTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29033623 0.74 PKM (0.50) SMN1; SMN2PKMPOLBTUBB4ATUBB
SCHEMBL29033599 0.74 KDM4E (0.54) PKMPOLBTUBB4ATUBBTUBA3C
SCHEMBL6902580 0.72 KMT2A (0.58) SMN1; SMN2POLBTUBB4ATUBBTUBA3C
SCHEMBL30740961 0.72 TPMT (0.59) VCAM1PKMABCB1ABCC1MEN1

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-0887344-B1 Quinolines and quinazolines useful in therapy PFIZER LTD (GB) 2003-12-03 EP disclosed
US-6417194-B1 TREATMENT OF BENIGN PROSTATIC HYPERPLASIA PFIZER, INC. 2002-07-09 US disclosed
US-6048864-A Quinolines and quinazolines useful in therapy PFIZER INC (US) 2000-04-11 US disclosed
EP-0887344-A1 Quinolines and quinazolines useful in therapy Pfizer Limited (GB) 1998-12-30 EP disclosed