SCHEMBL27645340

SCHEMBL27645340

O=C(O)Nc1ccc2c(c1)Cc1cccc(Br)c1S2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 4/20 0.42
CYP1A2 P05177 2/20 0.37
ADRA2A P08913 1/20 0.37
MAOA P21397 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR2B P41595 1/20 0.37
RAB9A P51151 4/20 0.37
NPC1 O15118 2/20 0.37
CASP3 P42574 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
PRKDC P78527 1/20 0.36
ATR Q13535 1/20 0.36

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
SCHEMBL27597023 0.86 ATM (0.43) ATMCYP1A2ADRA2AMAOASLC6A2
SCHEMBL3173494 0.83 ATM (0.40) ATMCA12CA1CA9
SCHEMBL27615683 0.80 ATM (0.39) ATMCYP1A2ADRA2AMAOASLC6A2
SCHEMBL5773768 0.79 ATM (0.39) ATMCYP1A2ADRA2AMAOASLC6A2
SCHEMBL27666446 0.77 LMNA (0.36) ATMRAB9ANPC1SMN1; SMN2PIK3CA
SCHEMBL3159752 0.74 BLM (0.46) ATMRAB9ANPC1SMN1; SMN2PRKDC
SCHEMBL17820794 0.72 RAB9A (0.39) CYP1A2ADRA2AMAOASLC6A2HTR2C
SCHEMBL17820115 0.69 RAB9A (0.39) CYP1A2ADRA2AMAOASLC6A2HTR2C
SCHEMBL17820007 0.67 TRPM8 (0.40) RAB9ANPC1SMN1; SMN2CA12CA9
SCHEMBL5545887 0.65 ALDH1A1 (0.34) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1867566-B Aminopyranones and their use as ATM inhibitors KUDOS PHARM LTD 2010-06-16 CN disclosed
CN-1867566-A Aminopyranones and their use as ATM inhibitors KUDOS PHARM LTD (GB) 2006-11-22 CN disclosed