SCHEMBL5375253

SCHEMBL5375253

COc1ccccc1Nc1ccnc(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.55
AURKA O14965 3/20 0.53
MAPK8 P45983 2/20 0.51
PIK3CG P48736 2/20 0.51
CAMKK2 Q96RR4 2/20 0.51
AKR1C3 P42330 2/20 0.50
AKR1C2 P52895 2/20 0.50
P4HTM Q9NXG6 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MAPK9 P45984 1/20 0.48
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
EGFR P00533 1/20 0.47
GSK3B P49841 1/20 0.47
PYGL P06737 1/20 0.47
PYGM P11217 1/20 0.47
CDC7 O00311 1/20 0.47
AURKB Q96GD4 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ASPH Q12797 1/20 0.46

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
SCHEMBL31650723 0.80 SMN1; SMN2 (0.54) MAPK10P4HTMSMN1; SMN2MAPK9EGFR
SCHEMBL25389479 0.78 MAPK10 (0.55) MAPK10AURKAMAPK8PIK3CGCAMKK2
SCHEMBL4926335 0.78 CAMKK2 (0.67) AURKAMAPK8PIK3CGCAMKK2P4HTM
SCHEMBL29501419 0.78 MAPK10 (0.55) MAPK10AURKAMAPK8PIK3CGCAMKK2
SCHEMBL23337477 0.78 ACVRL1 (0.55) MAPK10AURKAMAPK8P4HTMSMN1; SMN2
SCHEMBL5442670 0.74 AURKA (0.67) AURKAMAPK8PIK3CGCAMKK2AKR1C3
SCHEMBL11644754 0.73 AKR1C3 (0.68) AKR1C3AKR1C2SMN1; SMN2CTSVCTSL
SCHEMBL27588527 0.73 ALDH1A1 (0.64) MAPK10AURKASMN1; SMN2EGFRKDM4E
SCHEMBL9427888 0.72 MAPT (0.62) MAPK10AURKAMAPK8SMN1; SMN2EGFR
SCHEMBL31580872 0.72 BRAF (0.48) MAPK10MAPK8SMN1; SMN2ALDH1A1MAPT

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
WO-2007138110-A2 COMPOUNDS THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE KV FAMILY DEVGEN N.V. (BE) 2007-12-06 WO claimed