SCHEMBL6519971

SCHEMBL6519971

COc1ccc([N+](=O)[O-])c(F)c1CBr

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 1/20 0.39
MAPT P10636 3/20 0.38
MAPK1 P28482 2/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38

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
SCHEMBL34472127 0.88 ALDH1A1 (0.45) ALDH1A1TDP1L3MBTL1LMNASMN1; SMN2
SCHEMBL34473897 0.83 NPC1 (0.36) ALDH1A1TDP1L3MBTL1LMNAMAPT
SCHEMBL6520014 0.83 ALDH1A1 (0.46) ALDH1A1TDP1L3MBTL1LMNASMN1; SMN2
SCHEMBL6581247 0.83 ALDH1A1 (0.46) ALDH1A1TDP1L3MBTL1LMNASMN1; SMN2
SCHEMBL6576208 0.81 TDP1 (0.45) ALDH1A1TDP1L3MBTL1LMNASMN1; SMN2
SCHEMBL626589 0.80 ALDH1A1 (0.53) ALDH1A1TDP1L3MBTL1LMNAKMT2A
SCHEMBL29524625 0.80 ALDH1A1 (0.53) ALDH1A1TDP1L3MBTL1LMNAKMT2A
SCHEMBL4351741 0.79 ALDH1A1 (0.46) ALDH1A1TDP1L3MBTL1LMNASMN1; SMN2
SCHEMBL29991058 0.79 ALDH1A1 (0.49) ALDH1A1TDP1L3MBTL1LMNAKMT2A
SCHEMBL17048140 0.79 ALDH1A1 (0.49) ALDH1A1TDP1L3MBTL1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1038021-A4 COMPOUNDS AND METHODS FOR THE INHIBITION OF PROTEIN-PROTEIN INTERACTIONS WAY JEFFREY C (US) 2005-02-16 EP disclosed
US-20030003513-A1 Compounds and methods for the inhibition of protein-protein interactions WAY JEFFREY C (US) 2003-01-02 US disclosed
US-6465192-B2 MODULATORS OF POLYPEPTIDE BINDING ACTIVITIES; FOR USE IN THE TREATMENT, PREVENTION OF INFECTIONS AND VIRAL DISEASE Way, Jeffrey C. 2002-10-15 US disclosed
US-20020031780-A1 COMPOUNDS AND METHODS FOR THE INHIBITION OF PROTEIN-PROTEIN INTERACTIONS WAY, JEFFREY C. 2002-03-14 US disclosed
EP-1038021-A1 COMPOUNDS AND METHODS FOR THE INHIBITION OF PROTEIN-PROTEIN INTERACTIONS Way, Jeffrey C. (US) 2000-09-27 EP disclosed
WO-1999031265-A1 COMPOUNDS AND METHODS FOR THE INHIBITION OF PROTEIN-PROTEIN INTERACTIONS WAY JEFFREY C (US) 1999-06-24 WO disclosed