SCHEMBL8987013

SCHEMBL8987013

COc1ccc(-c2c[nH]c(=O)nc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.49
KMT2A Q03164 3/20 0.49
IDO1 P14902 4/20 0.47
SIRT5 Q9NXA8 1/20 0.45
MEN1 O00255 1/20 0.43
CCNE2 O96020 1/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
PKM P14618 1/20 0.42
NOX1 Q9Y5S8 1/20 0.42

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
SCHEMBL10647998 0.84 IDO1 (0.47) PDGFRBKMT2AIDO1SIRT5KDM4E
Hydrochloric Acid SCHEMBL10651452 0.83 IDO1 (0.46) PDGFRBKMT2AIDO1SIRT5KDM4E
SCHEMBL10510719 0.81 MEN1 (0.44) PDGFRBKMT2AIDO1MEN1KDM4E
SCHEMBL8987430 0.78 KDM4E (0.41) PDGFRBKMT2AMEN1KDM4EALDH1A1
SCHEMBL8987328 0.78 PARP1 (0.48) KMT2AMEN1CCNE1CDK2KDM4E
SCHEMBL15503669 0.74 KMT2A (0.53) KMT2AMEN1CCNE2CDK4CCND1
SCHEMBL4623876 0.73 MEN1 (0.66) KMT2AMEN1CCNE2CDK4CCND1
SCHEMBL7210265 0.72 MAPK14 (0.50) KDM4ETDP1ALDH1A1LMNAMAPT
SCHEMBL21852751 0.70 ALDH1A1 (0.67) KMT2AMEN1KDM4ETDP1ALDH1A1
SCHEMBL16652457 0.70 ALDH1A1 (0.68) PDGFRBIDO1SIRT5KDM4EALDH1A1

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
US-5492915-A ANTIINFLAMMATORY AGENTS RHONE-POULENC RORER S.A. (FR) 1996-02-20 US disclosed
US-5366982-A Antiinflammatory agents or antihistamines RHONE-POULENC RORER S.A. (FR) 1994-11-22 US disclosed