SCHEMBL8533910

SCHEMBL8533910

[CH2]c1cc(-n2nnnc2-c2ccccc2)ccc1OC

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
LMNA P02545 4/20 0.52
HSD17B10 Q99714 1/20 0.52
RAB9A P51151 2/20 0.52
MAPT P10636 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
PTGS2 P35354 3/20 0.50
ALDH1A1 P00352 6/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
TACR1 P25103 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 1/20 0.47
MAPK10 P53779 1/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KCNN4 O15554 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL8530490 0.82 NOTUM (0.46) TSHRLMNARAB9AMAPTNPSR1
SCHEMBL8530972 0.81 TSHR (0.52) TSHRLMNAHSD17B10RAB9AMAPT
SCHEMBL28107171 0.77 LMNA (0.76) TSHRLMNAHSD17B10RAB9AMAPT
SCHEMBL8530555 0.75 TACR1 (0.46) MAPTALDH1A1TACR1
SCHEMBL890039 0.73 LMNA (0.77) TSHRLMNAHSD17B10RAB9AMAPT
Hydrochloric Acid SCHEMBL5459649 0.72 L3MBTL1 (0.73) TSHRLMNAHSD17B10RAB9AMAPT
Hydrochloric Acid SCHEMBL5466223 0.72 ALDH1A1 (0.85) TSHRLMNAHSD17B10RAB9AMAPT
SCHEMBL28107112 0.72 ALDH1A1 (0.68) TSHRLMNAHSD17B10RAB9AMAPT
Bromide SCHEMBL28098177 0.71 LMNA (0.74) TSHRLMNAHSD17B10RAB9AMAPT
Hydrochloric Acid SCHEMBL7981337 0.71 LMNA (0.74) TSHRLMNAHSD17B10RAB9AMAPT

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
US-5843966-A Piperidine derivatives GLAXO GROUP LIMITED (GB) 1998-12-01 US disclosed