SCHEMBL9280445

SCHEMBL9280445

O=C(c1cccc(C(=O)N2Cc3ccccc3C=N2)c1)N1Cc2ccccc2C=N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 6/20 0.39
HSP90B1 P14625 3/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 3/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PGR P06401 1/20 0.35
HSD17B10 Q99714 2/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C1 Q04828 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
SCHEMBL27813867 0.80 NOTUM (0.37) TRAP1HSP90B1MAPTMEN1KMT2A
SCHEMBL9387921 0.79 NOTUM (0.36) ALDH1A1SMN1; SMN2TSHRKDM4EL3MBTL1
SCHEMBL27565832 0.78 NOTUM (0.47)
Hydrochloric Acid SCHEMBL28196681 0.78 NOTUM (0.35) ALDH1A1SMN1; SMN2LMNATSHRMAPT
SCHEMBL1650756 0.78 LMNA (0.37) ALDH1A1MAPK1LMNATSHRMAPT
SCHEMBL9384425 0.74 HTR2A (0.35) ALDH1A1TSHRKDM4EL3MBTL1HSD17B10
SCHEMBL28378324 0.74 TRPA1 (0.42) LMNAMEN1KMT2A
SCHEMBL7137593 0.74 ACHE (0.36) HPGDTSHRMAPTMEN1KMT2A
SCHEMBL6869234 0.73 HSD17B3 (0.32)
SCHEMBL29013623 0.72 GRIN2D (0.42) ALDH1A1SMN1; SMN2HPGDMAPK1LMNA

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
JP-7033747-A None JP disclosed
JP-H0733747-A NOVEL ISOPHTHALIC ACID DERIVATIVE AND THERMALLY RECORDING MEDIUM USING THE SAME NIPPON PAPER IND CO LTD 1995-02-03 JP disclosed