SCHEMBL2512416

SCHEMBL2512416

O=C(O)c1cccc(C(=O)c2ccc(F)cc2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
SRD5A2 P31213 3/20 0.57
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA9 Q16790 2/20 0.55
BCL2L1 Q07817 1/20 0.53
BAD Q92934 1/20 0.53
CTSL P07711 2/20 0.52
CTSK P43235 1/20 0.52
NR4A2 P43354 1/20 0.51
LTA4H P09960 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
ALPG P10696 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KCNK3 O14649 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49

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
SCHEMBL17950520 0.92 ATM (0.75) ATMTDP1L3MBTL1SRD5A2CTSL
SCHEMBL209624 0.92 ATM (0.67) ATMTDP1L3MBTL1SRD5A2CTSL
SCHEMBL110317 0.88 SRD5A2 (0.74) ATMTDP1L3MBTL1SRD5A2CA1
SCHEMBL13297330 0.86 ATM (0.59) ATMTDP1L3MBTL1CA1CA2
SCHEMBL9727858 0.86 SRD5A2 (0.78) ATMTDP1L3MBTL1SRD5A2CA1
SCHEMBL30320253 0.86 ATM (0.86) ATMTDP1L3MBTL1SRD5A2CA1
SCHEMBL141056 0.86 ATM (0.86) ATMTDP1L3MBTL1SRD5A2CA1
SCHEMBL2405473 0.86 SRD5A2 (0.77) ATMTDP1L3MBTL1SRD5A2CA1
SCHEMBL766131 0.85 ATM (0.76) ATMTDP1L3MBTL1SRD5A2CA1
SCHEMBL3038873 0.84 CES2 (0.63) ATMTDP1L3MBTL1CTSLCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245088-A1 AMIDE-BASED SOLUTION-PHASE DERIVED LIBRARY AND METHOD FOR SCREENING THEREOF NATIONAL TSING HUA UNIVERSITY (TW) 2011-10-06 US claimed
US-5663179-A CAN SENSITIZE MULTIDRUG RESISTANT CANCER CELLS TO CHEMOTHERAPEUTIC AGENTS LABORATOIRES GLAXO SA (FR) 1997-09-02 US disclosed
EP-0649410-B1 ANILIDE DERIVATIVES GLAXO LAB SA (FR) 1997-05-02 EP disclosed
EP-0649410-A1 ANILIDE DERIVATIVES. GLAXO LAB SA (FR) 1995-04-26 EP disclosed
WO-1994001408-A1 ANILIDE DERIVATIVES LABORATOIRES GLAXO S.A. (FR) 1994-01-20 WO disclosed