SCHEMBL4734529

SCHEMBL4734529

COC(=O)c1ccccc1NC(=O)CCSc1ccc(Br)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.64
L3MBTL1 Q9Y468 5/20 0.63
KMT2A Q03164 3/20 0.63
ALDH1A1 P00352 3/20 0.63
PSMD14 O00487 1/20 0.63
POLB P06746 1/20 0.63
MMP2 P08253 1/20 0.63
DNMT1 P26358 1/20 0.63
RECQL P46063 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
LMNA P02545 2/20 0.57
RAB9A P51151 1/20 0.57
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
MEN1 O00255 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57

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
SCHEMBL4737934 0.90 L3MBTL1 (0.76) KDM4EL3MBTL1KMT2AALDH1A1TDP1
SCHEMBL4736710 0.88 KDM4E (0.64) KDM4EL3MBTL1KMT2AALDH1A1LMNA
SCHEMBL4732905 0.88 L3MBTL1 (0.81) KDM4EL3MBTL1KMT2AALDH1A1PSMD14
SCHEMBL4749278 0.80 NPC1 (0.55) KDM4EKMT2AALDH1A1POLBRAB9A
SCHEMBL7435098 0.79 L3MBTL1 (0.77) KDM4EL3MBTL1ALDH1A1TDP1LMNA
SCHEMBL4751448 0.79 KMT2A (0.65) L3MBTL1KMT2AALDH1A1TDP1LMNA
SCHEMBL4797746 0.77 KMT2A (0.73) KDM4EL3MBTL1KMT2AALDH1A1PSMD14
SCHEMBL9360758 0.77 KMT2A (0.73) KDM4EL3MBTL1KMT2AALDH1A1PSMD14
SCHEMBL4734498 0.77 LMNA (0.78) KDM4EL3MBTL1KMT2AALDH1A1POLB
SCHEMBL4194030 0.77 LMNA (0.55) KDM4EKMT2AALDH1A1LMNAMEN1

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
WO-2008069611-A1 N-PHENYLAMIDE DERIVATIVE, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-06-12 WO claimed
WO-2008069611-A1 N-PHENYLAMIDE DERIVATIVE, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-06-12 WO disclosed