SCHEMBL336047

SCHEMBL336047

COc1cc2cc(C(=O)NC(c3ccccc3)C(O)C(=O)Nc3ccc4nc(N)[nH]c4c3)[nH]c2cc1OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.43
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
RXFP1 Q9HBX9 1/20 0.40
RCE1 Q9Y256 1/20 0.39
F7 P08709 3/20 0.38
F9 P00740 2/20 0.38
SRD5A1 P18405 1/20 0.38
SRD5A2 P31213 1/20 0.38
ACP1 P24666 1/20 0.38
F3 P13726 1/20 0.37
EGFR P00533 2/20 0.37
PIK3CA P42336 2/20 0.37
F11 P03951 1/20 0.37
DYRK1A Q13627 1/20 0.37
PYGL P06737 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 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
SCHEMBL336071 0.90 PYGL (0.45) MEN1KMT2APYGLACHE
SCHEMBL335308 0.90 MEN1 (0.44) POLBMEN1KMT2ARXFP1EGFR
SCHEMBL335351 0.87 EGFR (0.50) ACP1EGFRPIK3CAPYGL
SCHEMBL335551 0.85 KDM4E (0.43) MEN1KMT2AEGFRPIK3CAPYGL
SCHEMBL335316 0.84 ALOX15 (0.41) F7F9F3
SCHEMBL335498 0.84 TAS1R3 (0.45) F7F9F3F11DYRK1A
SCHEMBL334843 0.83 KDR (0.45) MEN1KMT2AF7F9F11
SCHEMBL335582 0.83 TNIK (0.42) POLBKMT2AACP1EGFRPIK3CA
SCHEMBL15282285 0.81 ACP1 (0.46) POLBMEN1KMT2AF7ACP1
SCHEMBL15282212 0.81 ACP1 (0.46) POLBMEN1KMT2AF7ACP1

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-8097758-B2 Isoserine derivatives for use as coagulation factor IXa inhibitors SANOFI-AVENTIS (FR) 2012-01-17 US claimed