SCHEMBL9828617

SCHEMBL9828617

COc1ccc(-c2cnn(CC(=O)c3ccc(C)cc3)c(=O)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
SRC P12931 3/20 0.47
CHEK1 O14757 1/20 0.46
NPC1 O15118 3/20 0.45
GAA P10253 3/20 0.45
MGAM O43451 2/20 0.45
AMY1A P0DUB6 2/20 0.45
SI P14410 2/20 0.45
MGAM2 Q2M2H8 2/20 0.45
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43

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
SCHEMBL9828844 0.95 CHEK1 (0.50) ALDH1A1MAPTLMNASMN1; SMN2SRC
SCHEMBL9828939 0.90 MGAM (0.47) ALDH1A1MAPTLMNASRCCHEK1
SCHEMBL9828154 0.83 LMNA (0.46) ALDH1A1MAPTLMNASMN1; SMN2CHEK1
SCHEMBL9829358 0.81 CHEK1 (0.44) ALDH1A1MAPTLMNASMN1; SMN2CHEK1
SCHEMBL9829354 0.80 CHEK1 (0.43) ALDH1A1MAPTLMNASMN1; SMN2CHEK1
SCHEMBL9828641 0.79 MAPT (0.47) ALDH1A1MAPTPOLBKMT2AKDM4E
SCHEMBL9828830 0.79 ALDH1A1 (0.42) ALDH1A1MAPTSMN1; SMN2SRCNPC1
SCHEMBL9829126 0.76 CHEK1 (0.40) MAPTLMNASMN1; SMN2CHEK1NPC1
SCHEMBL30531810 0.74 SRC (0.85) ALDH1A1MAPTLMNASMN1; SMN2SRC
SCHEMBL9832501 0.71 TLR8 (0.51) ALDH1A1MAPTSMN1; SMN2CHEK1NPC1

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