SCHEMBL8538807

SCHEMBL8538807

NN=CNc1cccc(C(=O)C(N)=C(C(=O)O)c2ccccc2Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.42
KCNK9 Q9NPC2 2/20 0.42
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HPGD P15428 2/20 0.38
PKM P14618 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 4/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.36
SMO Q99835 2/20 0.36
THRB P10828 1/20 0.36
PTGES O14684 1/20 0.36

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
SCHEMBL8538385 0.90 KCNK3 (0.43) KCNK3KCNK9NPC1RAB9AHPGD
SCHEMBL8542528 0.89 SMN1; SMN2 (0.34) KCNK3KCNK9NPC1RAB9AHPGD
SCHEMBL8539554 0.87 CA1 (0.38) KCNK3KCNK9NPC1RAB9APKM
SCHEMBL8536780 0.86 MEN1 (0.39) NPC1RAB9AHPGDPKMSMN1; SMN2
SCHEMBL8542388 0.85 ATIC (0.34) NPC1RAB9ASMN1; SMN2GAANFKB1
SCHEMBL8536787 0.84 PARP1 (0.40) KCNK3KCNK9NPC1RAB9ASMN1; SMN2
SCHEMBL8540355 0.84 KCNK3 (0.45) KCNK3KCNK9NPC1RAB9AGAA
SCHEMBL8538088 0.84 P2RX1 (0.38) RAB9ASMN1; SMN2GAANFKB1NFKB2
SCHEMBL8540372 0.80 KCNK3 (0.37) KCNK3KCNK9NPC1RAB9ASMN1; SMN2
SCHEMBL8542422 0.80 PARP1 (0.36) KCNK3KCNK9NPC1RAB9ASMN1; SMN2

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 claimed