SCHEMBL7495273

SCHEMBL7495273

CCCCN(S)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
ESR1 P03372 1/20 0.44
KCNH2 Q12809 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
NPC1 O15118 1/20 0.42
JAK2 O60674 1/20 0.42
RAB9A P51151 1/20 0.42
PAX8 Q06710 1/20 0.42
TSHR P16473 1/20 0.42
TP53 P04637 1/20 0.41
OPRM1 P35372 2/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 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
SCHEMBL12833638 0.86 TP53 (0.44) ESR1KCNH2NPC1JAK2RAB9A
SCHEMBL157807 0.79 MEN1 (0.51) TDP1ESR1KCNH2MEN1KMT2A
SCHEMBL107013 0.79 CNR2 (0.49) TDP1ESR1MEN1KMT2ANPSR1
SCHEMBL2589900 0.79 MEN1 (0.51) TDP1ESR1KCNH2MEN1KMT2A
SCHEMBL18074044 0.77 CNR2 (0.48) TDP1ESR1MEN1KMT2ANPSR1
Bromide SCHEMBL10687133 0.77 MEN1 (0.50) TDP1ESR1KCNH2MEN1KMT2A
Hydrochloric Acid SCHEMBL2141325 0.77 CNR2 (0.48) TDP1ESR1MEN1KMT2ANPSR1
SCHEMBL18460748 0.77 ALDH1A1 (0.38) TDP1ESR1KCNH2MEN1KMT2A
SCHEMBL20543278 0.77 MEN1 (0.52) TDP1ESR1KCNH2MEN1KMT2A
SCHEMBL96161 0.77 MAPT (0.55) TDP1ESR1MEN1KMT2ANPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2292610-A1 Macrolides with VEGF transcription suppression activity MERCIAN CORPORATION (JP) 2011-03-09 EP disclosed
EP-2277880-A1 Macrolides with VEGF transcription suppression activity Eisai R&D Management Co., Ltd. (JP) 2011-01-26 EP disclosed
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed