SCHEMBL3829665

SCHEMBL3829665

Oc1nc2c(F)c(F)c(F)cc2s1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
LMNA P02545 2/20 0.61
ILK Q13418 1/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 1/20 0.43
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.36
PKM P14618 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.30
NSD1 Q96L73 1/20 0.30

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
SCHEMBL28293356 0.79 ALDH1A1 (0.66) ALDH1A1LMNAILKRAB9ANPC1
SCHEMBL3071959 0.78 ALDH1A1 (0.63) ALDH1A1LMNAILKRAB9ANPC1
SCHEMBL335937 0.76 ALDH1A1 (0.61) ALDH1A1LMNAILKRAB9ANPC1
SCHEMBL5497048 0.76 ALDH1A1 (0.61) ALDH1A1LMNAILKRAB9ANPC1
SCHEMBL21753703 0.76 ALDH1A1 (1.00) ALDH1A1LMNAILKRAB9ANPC1
SCHEMBL7268236 0.72 ALDH1A1 (0.56) ALDH1A1LMNAILKRAB9ANPC1
SCHEMBL19783180 0.67 ALDH1A1 (0.42) ALDH1A1LMNAILKRAB9ANPC1
SCHEMBL23463047 0.62 ALDH1A1 (0.44) ALDH1A1LMNAILKRAB9ANPC1
SCHEMBL25424505 0.60 ALDH1A1 (0.71) ALDH1A1LMNAILKRAB9ANPC1
SCHEMBL12844692 0.60 GFER (0.61) ALDH1A1LMNARAB9ANPC1MEN1

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
EP-2089354-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Korea Research Institute Of Chemical Technology (KR) 2009-08-19 EP disclosed
WO-2008054154-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-05-08 WO disclosed