SCHEMBL10539145

SCHEMBL10539145

CC(C)C=CN(C(=O)n1cncn1)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.38
MAPT P10636 5/20 0.38
PKM P14618 5/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
NPC1 O15118 4/20 0.38
HTT P42858 4/20 0.38
MITF O75030 1/20 0.38
ATM Q13315 4/20 0.36
LMNA P02545 7/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 4/20 0.34
TP53 P04637 2/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 3/20 0.33
GAA P10253 1/20 0.33
HSP90AA1 P07900 1/20 0.32
MAPK1 P28482 1/20 0.32
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32

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
SCHEMBL10539139 1.00 RAB9A (0.38) RAB9AMAPTPKMSMN1; SMN2NPC1
SCHEMBL10539054 0.76 ELANE (0.35) MAPTPDE4B
SCHEMBL8438655 0.69 LMNA (0.44) RAB9AMAPTPKMSMN1; SMN2NPC1
SCHEMBL9368962 0.66 FAAH (0.45) RAB9AMAPTPKMSMN1; SMN2NPC1
SCHEMBL10538011 0.65 ALDH1A1 (0.31) ALDH1A1
SCHEMBL13114303 0.65 RAB9A (0.47) RAB9AMAPTPKMSMN1; SMN2NPC1
SCHEMBL26822942 0.65 ATM (0.42) RAB9AMAPTPKMSMN1; SMN2NPC1
SCHEMBL28151204 0.63 LMNA (0.44) RAB9AMAPTPKMSMN1; SMN2NPC1
SCHEMBL9427893 0.62
SCHEMBL83387 0.61 MGLL (0.50) RAB9AMAPTPKMSMN1; SMN2NPC1

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
US-4835171-A Vinylureas, and fungicides containing these compounds BASF ALTIENGESELLSCHAFT (DE) 1989-05-30 US disclosed
EP-0171502-A2 Vinylazolyl ureas and fungicides containing them BASF Aktiengesellschaft (DE) 1986-02-19 EP disclosed