SCHEMBL9828844

SCHEMBL9828844

COc1ccc(C(=O)Cn2ncc(-c3ccc(OC)cc3)nc2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.50
GAA P10253 3/20 0.47
MGAM O43451 2/20 0.47
AMY1A P0DUB6 2/20 0.47
SI P14410 2/20 0.47
MGAM2 Q2M2H8 2/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47
TUBA1C Q9BQE3 1/20 0.47
TUBB6 Q9BUF5 1/20 0.47
TUBB2B Q9BVA1 1/20 0.47

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
SCHEMBL9828617 0.95 ALDH1A1 (0.51) CHEK1GAAMGAMAMY1ASI
SCHEMBL9828939 0.94 MGAM (0.47) CHEK1GAAMGAMAMY1ASI
SCHEMBL9828154 0.87 LMNA (0.46) CHEK1NPC1RXFP1MAPTMEN1
SCHEMBL9829358 0.85 CHEK1 (0.44) CHEK1NPC1RXFP1MAPTMEN1
SCHEMBL9829354 0.84 CHEK1 (0.43) CHEK1NPC1RXFP1MAPTMEN1
SCHEMBL9828641 0.83 MAPT (0.47) RXFP1MAPTMEN1KMT2AALDH1A1
SCHEMBL9829126 0.80 CHEK1 (0.40) CHEK1NPC1RXFP1MAPTMEN1
SCHEMBL9832501 0.75 TLR8 (0.51) CHEK1NPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL9829232 0.74 FYN (0.44) CHEK1GAANPC1MAPTMEN1
SCHEMBL11097662 0.74 ACHE (0.52) GAAMGAMAMY1ASIMGAM2

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
EP-0233804-B1 MONOARYL-5-AS TRIAZINONES SUBSTITUTED IN POSITION 2, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL PREPARATIONS PIERRE FABRE MEDICAMENT (FR) 1991-09-25 EP claimed