SCHEMBL16457166

SCHEMBL16457166

NNC(=O)NCCc1cc[c]cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
CNR1 P21554 3/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
CA2 P00918 4/20 0.40
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
CA1 P00915 2/20 0.40
KDM4E B2RXH2 1/20 0.40
F13A1 P00488 1/20 0.40
ST14 Q9Y5Y6 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL1223474 0.79 CNR1 (0.68) EPHX1LMNAGAATAAR1KMT2A
SCHEMBL9798738 0.78 KMT2A (0.55) EPHX1GAAKMT2ANPC1RAB9A
SCHEMBL667359 0.78 KDM4E (0.65) LMNAMAPTSMN1; SMN2KDM4EF13A1
SCHEMBL3654946 0.77 CA2 (0.52) EPHX1LMNAGAATAAR1KMT2A
SCHEMBL9799589 0.75 GLA (0.50) GAATAAR1KMT2ANPC1RAB9A
SCHEMBL6682075 0.74 ST14 (0.45) EPHX1LMNAGAATAAR1KMT2A
SCHEMBL1979285 0.74 KDM4E (0.46) LMNAGAAKMT2ANPC1RAB9A
SCHEMBL5186025 0.74 KMT2A (0.57) LMNAGAAKMT2ATSHRMEN1
SCHEMBL3407682 0.74 KDM4E (0.40) LMNAKMT2ACNR1MAPTSMN1; SMN2
SCHEMBL27475656 0.73 CNR1 (0.68) EPHX1KMT2ANPC1RAB9ACNR1

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-2252604-B1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R TECH UENO LTD (JP) 2014-01-08 EP claimed