SCHEMBL17339657

SCHEMBL17339657

COc1ccc(C=CC(N)=O)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.54
NPC1 O15118 6/20 0.52
RAB9A P51151 5/20 0.52
LMNA P02545 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 3/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51
TUBB8 Q3ZCM7 1/20 0.51
TUBA3E Q6PEY2 1/20 0.51
TUBA1A Q71U36 1/20 0.51
TUBA1C Q9BQE3 1/20 0.51

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
SCHEMBL28608967 0.87 F3 (0.56) NNMTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL30034522 0.85 P4HTM (0.58) NNMTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL1124610 0.85 P4HTM (0.58) NNMTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL1124609 0.85 P4HTM (0.58) NNMTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL28609817 0.85 GSK3B (0.60) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL20139654 0.85 P4HTM (0.58) NNMTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL14480283 0.85 NNMT (0.59) NNMTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL8664417 0.84 FDPS (0.58) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL8664419 0.84 FDPS (0.58) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL10756396 0.83 NPC1 (0.59) NNMTNPC1RAB9ALMNASMN1; SMN2

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-2015188777-A1 CERTAIN PROTEIN KINASE INHIBITORS SHANGHAI FOCHON PHARMACEUTICAL CO LTD (CN) 2015-12-17 WO disclosed