SCHEMBL8538564

SCHEMBL8538564

Cc1cccc(C(C(=O)O)=C(N)C(=O)c2cccc(NC=NN)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
KCNK3 O14649 3/20 0.40
KCNK9 Q9NPC2 3/20 0.40
POLB P06746 2/20 0.40
KCNH2 Q12809 1/20 0.39
FFAR1 O14842 1/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 3/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
CSF1R P07333 1/20 0.37
FLT1 P17948 1/20 0.37
FLT3 P36888 1/20 0.37
RXFP1 Q9HBX9 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
SCHEMBL8542422 0.93 PARP1 (0.36) PARP1MEN1KMT2AKCNK3KCNK9
SCHEMBL8539554 0.89 CA1 (0.38) PARP1MEN1KMT2AKCNK3KCNK9
SCHEMBL8540372 0.88 KCNK3 (0.37) PARP1MEN1KMT2AKCNK3KCNK9
SCHEMBL8542364 0.87 CES2 (0.47) PARP1MEN1KMT2AKCNK3KCNK9
SCHEMBL8536787 0.86 PARP1 (0.40) PARP1MEN1KMT2AKCNK3KCNK9
SCHEMBL8538094 0.86 CES2 (0.42) PARP1MEN1KMT2AKCNK3KCNK9
SCHEMBL8544139 0.86 KAT6A (0.38) PARP1MAPTMAPK1SMN1; SMN2PARP15
SCHEMBL8538385 0.85 KCNK3 (0.43) PARP1MEN1KMT2AKCNK3KCNK9
SCHEMBL8542528 0.82 SMN1; SMN2 (0.34) PARP1MEN1KMT2AKCNK3KCNK9
SCHEMBL8538807 0.80 KCNK3 (0.42) MEN1KMT2AKCNK3KCNK9POLB

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