SCHEMBL583230

SCHEMBL583230

COc1ccccc1OCc1nc(C)c(C)nc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
PKM P14618 3/20 0.48
MAPT P10636 3/20 0.48
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 1/20 0.48
APP P05067 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
FFAR1 O14842 1/20 0.45
LMNA P02545 2/20 0.44

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
SCHEMBL583036 0.75 CA12 (0.56) RAB9ACA12CA1CA2CA4
SCHEMBL583044 0.75 THRB (0.43) ALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL19474968 0.75 SYK (0.47) RAB9ASMN1; SMN2PKMMAPTNPC1
SCHEMBL583233 0.74 KMT2A (0.54) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL8893668 0.73 CA12 (0.62) SMN1; SMN2MAPTALDH1A1APPCA12
SCHEMBL10053685 0.72 GAA (0.45) RAB9ASMN1; SMN2MAPTNPC1LMNA
SCHEMBL16471789 0.70 TACR2 (0.37) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL16459003 0.70 TACR2 (0.52) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL30416387 0.70 HTR1A (0.74) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL791853 0.70 HTR1A (0.74) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1

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-2213666-B1 LIGUSTRAZINE AROMATIC ACID ETHER DERIVATIVE, ITS PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION LI JIAMING (CN) 2012-02-15 EP claimed