SCHEMBL8084675

SCHEMBL8084675

CC(C)(C)OC(=O)N1CCCN(c2ccc(C(=O)CSc3ccnc4ccccc34)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 2/20 0.43
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALK Q9UM73 1/20 0.43
GBA1 P04062 2/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
ATR Q13535 1/20 0.43
PDE10A Q9Y233 1/20 0.43
NPC1 O15118 1/20 0.42
NR2F2 P24468 1/20 0.42
ACHE P22303 2/20 0.42
ESRRB O95718 1/20 0.42
ESR1 P03372 1/20 0.42

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
SCHEMBL8084900 0.97 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2ACYP2C19HTT
SCHEMBL8084112 0.87 MAPT (0.48) SMN1; SMN2KMT2ALMNAMAPTALDH1A1
SCHEMBL8089904 0.86 LMNA (0.51) SMN1; SMN2MEN1KMT2AHTTNPSR1
SCHEMBL8076752 0.85 MEN1 (0.42) SMN1; SMN2MEN1KMT2AHTTNPSR1
SCHEMBL8088289 0.85 IDO1 (0.42) SMN1; SMN2MEN1KMT2ACYP2C19HTT
SCHEMBL8084765 0.84 GBA1 (0.44) SMN1; SMN2MEN1KMT2AHTTCKS1B
SCHEMBL8084676 0.84 CCNC (0.46) SMN1; SMN2NPSR1LMNAMAPTNPC1
SCHEMBL8089852 0.83 ALDH1A1 (0.46) SMN1; SMN2MEN1KMT2ACYP2C19HTT
SCHEMBL8084719 0.83 ALOX15 (0.49) SMN1; SMN2CYP2C19NPSR1LMNAMAPT
SCHEMBL8076743 0.83 CHRM2 (0.41) GBA1ACHE

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-6057447-A BACTERICIDES FOR CAMPYLOBACTER ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2000-05-02 US disclosed
EP-0926139-A1 QUINOLINE SULFIDE DERIVATIVES ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1999-06-30 EP disclosed