SCHEMBL1934969

SCHEMBL1934969

O=C(/C=C/c1cccc(Br)n1)NCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.60
MMP2 P08253 4/20 0.60
MMP9 P14780 4/20 0.60
POLB P06746 1/20 0.60
RECQL P46063 1/20 0.60
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
ALDH1A1 P00352 5/20 0.56
TAAR1 Q96RJ0 1/20 0.56
HPGD P15428 4/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.54
NLRP3 Q96P20 1/20 0.54
ARG1 P05089 1/20 0.52
ALOX5 P09917 1/20 0.48

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
SCHEMBL1934858 0.76 MAOB (0.59) RECQLMEN1KMT2AALDH1A1HPGD
SCHEMBL6233942 0.76 MMP1 (1.00) MMP1MMP2MMP9POLBRECQL
SCHEMBL16473431 0.76 MMP1 (1.00) MMP1MMP2MMP9POLBRECQL
SCHEMBL28891887 0.76 MMP1 (1.00) MMP1MMP2MMP9POLBRECQL
SCHEMBL1934987 0.75 USP9X (0.72) POLBRECQLMEN1KMT2AALDH1A1
SCHEMBL1934696 0.74 SMN1; SMN2 (0.41) ALDH1A1TAAR1HPGDSMN1; SMN2
SCHEMBL4661887 0.74 SMN1; SMN2 (0.41) ALDH1A1TAAR1HPGDSMN1; SMN2
SCHEMBL30400234 0.74 MMP1 (0.60) MMP1MMP2MMP9POLBRECQL
SCHEMBL31210243 0.74 MMP1 (0.60) MMP1MMP2MMP9POLBRECQL
SCHEMBL3614973 0.74 KDM4E (0.53) ALDH1A1HPGDRAB9ALMNA

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-2506852-A2 INTERFERON THERAPIES IN COMBINATION WITH BLOCKADE OF STAT3 ACTIVATION Board Of Regents, The University Of Texas System (US) 2012-10-10 EP disclosed
WO-2011069141-A2 INTERFERON THERAPIES IN COMBINATION WITH BLOCKADE OF STAT3 ACTIVATION BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-06-09 WO disclosed