SCHEMBL8544672

SCHEMBL8544672

N=C(N)Nc1cccc(OC(=O)C(=C(CNC=O)c2cc(Cl)cc(Cl)c2)c2ccccc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
MAPK1 P28482 2/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
PLAU P00749 2/20 0.36
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
NLRP3 Q96P20 1/20 0.34
MEN1 O00255 3/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 2/20 0.34
MITF O75030 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
CYP1A2 P05177 1/20 0.34
F2 P00734 1/20 0.34
PLG P00747 1/20 0.34
PLAT P00750 1/20 0.34
KLKB1 P03952 1/20 0.34
PRSS1 P07477 1/20 0.34

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
SCHEMBL8539491 0.74 KCNK3 (0.44) KMT2ANPC1RAB9AKCNK3KCNK9
SCHEMBL8542018 0.70 CYP1A2 (0.45) KMT2AMAPK1NPC1RAB9APLAU
SCHEMBL8541231 0.69 PARP1 (0.40) KMT2ANPC1RAB9AKCNK3KCNK9
SCHEMBL8538122 0.68 MMP1 (0.40) KMT2AMAPK1NPC1RAB9APLAU
SCHEMBL8538568 0.66 ALDH1A1 (0.46) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL8430807 0.65 CA12 (0.35) RAB9AMAPT
SCHEMBL8431259 0.65 RXFP1 (0.43) KMT2ANPC1RAB9APLAUMEN1
SCHEMBL8542779 0.64 MAPT (0.43) KMT2AMAPK1NPC1RAB9AMEN1
SCHEMBL8431432 0.64 RAB9A (0.36) KMT2AMAPK1NPC1RAB9APLAU
SCHEMBL8430795 0.64 CA12 (0.40) RAB9APLAUPOLBALDH1A1F2

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-5852210-A Cinnamic acid derivatives G. D. SEARLE & CO. (US) 1998-12-22 US disclosed