SCHEMBL4755148

SCHEMBL4755148

Cc1cccc(OCc2ccc(C[C]=NO)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.40
GRM5 P41594 6/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ADAMTS4 O75173 1/20 0.35
TRPV3 Q8NET8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
GBA1 P04062 1/20 0.34
HSD17B3 P37058 1/20 0.34
GRM1 Q13255 1/20 0.34
RXRA P19793 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 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
SCHEMBL4755143 1.00 GABRA5 (0.40) GABRA5GRM5MEN1KMT2AADAMTS4
SCHEMBL1563576 0.77 GABRA5 (0.55) GABRA5GRM5TRPV3TSHRMAPK1
SCHEMBL510147 0.77 GABRA5 (0.39) GABRA5GRM5MEN1KMT2AADAMTS4
SCHEMBL509965 0.77 GABRA5 (0.39) GABRA5GRM5MEN1KMT2AADAMTS4
SCHEMBL510349 0.76 MEN1 (0.58) GABRA5MEN1KMT2ALMNATSHR
SCHEMBL2942352 0.76 NPC1 (0.38) KDM4ELMNARXRAGRIN1GRIN2B
SCHEMBL2942355 0.76 NPC1 (0.38) KDM4ELMNARXRAGRIN1GRIN2B
SCHEMBL509966 0.75 GABRA5 (0.45) GABRA5GRM5TRPV3LMNATSHR
SCHEMBL6120364 0.74 RXRA (0.55) TSHRRXRA
SCHEMBL24265294 0.74 GABRA5 (0.46) GABRA5GRM5MEN1KMT2ACYP11B1

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
EP-1944303-B1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROCYCLE AND FUNGICIDE CONTAINING THE SAME EISAI R&D MAN CO LTD (JP) 2013-08-21 EP disclosed
EP-1944303-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROCYCLE AND FUNGICIDE CONTAINING THE SAME Eisai R&D Management Co., Ltd. (JP) 2008-07-16 EP disclosed