SCHEMBL5334684

SCHEMBL5334684

CCCON=C(CBr)c1cccc(Oc2ccc(Cl)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.38
P2RX3 P56373 6/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37
RAB9A P51151 1/20 0.37
PPARG P37231 1/20 0.37
KMO O15229 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PARP14 Q460N5 1/20 0.35
PARP10 Q53GL7 1/20 0.35

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
SCHEMBL5310279 0.82 AKR1C3 (0.46) KMT2AMAPTALDH1A1NPC1POLB
SCHEMBL5342195 0.80 GSK3B (0.50) KMT2AMAPTALDH1A1NPC1CYP2C9
SCHEMBL14530949 0.78 PLA2G4B (0.48) KMT2AP2RX3PPARGMAOAMAOB
SCHEMBL5334985 0.77 GSK3B (0.50) KMT2AALDH1A1NPC1POLBCYP2C9
SCHEMBL5312481 0.77 GSK3B (0.50) KMT2AALDH1A1NPC1POLBCYP2C9
SCHEMBL5332467 0.75 KMT2A (0.42) KMT2AMAPTP2RX3NPC1POLB
SCHEMBL5332472 0.75 KMT2A (0.42) KMT2AMAPTP2RX3NPC1POLB
SCHEMBL5798676 0.72 LTA4H (0.46) NPC1RAB9ASMN1; SMN2PARP10
SCHEMBL5823156 0.72 LTA4H (0.46) NPC1RAB9ASMN1; SMN2PARP10
SCHEMBL5312903 0.72 KMT2A (0.59) KMT2AALDH1A1NPC1POLBCYP2C9

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
WO-2007058504-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO disclosed