SCHEMBL6950804

SCHEMBL6950804

COc1cc([N+](=O)[O-])c(C#N)c(OCC(F)(F)F)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
TUBB4A P04350 2/20 0.37
TUBB P07437 2/20 0.37
TUBA3C P0DPH7 2/20 0.37
TUBA1B P68363 2/20 0.37
TUBA4A P68366 2/20 0.37
TUBB4B P68371 2/20 0.37
TUBB3 Q13509 2/20 0.37
TUBB2A Q13885 2/20 0.37
TUBB8 Q3ZCM7 2/20 0.37
TUBA3E Q6PEY2 2/20 0.37

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
SCHEMBL6762758 0.88 MAPK8 (0.37) MAPK8MAPK9MAPK10LMNASMN1; SMN2
SCHEMBL6948979 0.79 KDM4E (0.44) SMN1; SMN2MAPK1BRD4ALDH1A1MAPT
SCHEMBL5753766 0.76 ALDH1A1 (0.42) MAPK8MAPK9MAPK10LMNASMN1; SMN2
SCHEMBL5754985 0.76 ALDH1A1 (0.42) LMNASMN1; SMN2GAAMAPK1BRD4
SCHEMBL424184 0.75 ALDH1A1 (0.47) LMNASMN1; SMN2GAAMAPK1ALDH1A1
SCHEMBL6943425 0.74 TUBB4A (0.39) LMNASMN1; SMN2GAAMAPK1BRD4
SCHEMBL7655446 0.74 KMT2A (0.41) MAPK8MAPK9MAPK10LMNASMN1; SMN2
SCHEMBL7011428 0.73 MAPK8 (0.43) MAPK8MAPK9MAPK10LMNASMN1; SMN2
SCHEMBL6376780 0.73 ALDH1A1 (0.42) LMNASMN1; SMN2GAAMAPK1ALDH1A1
SCHEMBL6772390 0.72 ABCB1 (0.42) LMNASMN1; SMN2GAAMAPK1BRD4

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