SCHEMBL11849366

SCHEMBL11849366

CCCCCCCCCCCCCCCCCCCC=CCCCCCCCCCN

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
ALDH1A1 P00352 1/20 0.68
TSHR P16473 1/20 0.68
EPHX1 P07099 1/20 0.68
FAAH O00519 3/20 0.58
TRPV1 Q8NER1 1/20 0.58
SLC6A5 Q9Y345 2/20 0.58
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
SOAT1 P35610 1/20 0.56

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
SCHEMBL11855522 1.00 DNM1 (0.68) DNM1MEN1KMT2AALDH1A1TSHR
Dectaflur SCHEMBL20875746 1.00 DNM1 (0.68) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL11850135 1.00 DNM1 (0.68) DNM1MEN1KMT2AALDH1A1TSHR
Dectaflur SCHEMBL21052121 1.00 DNM1 (0.68) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL25409164 1.00 DNM1 (0.68) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL21060609 1.00 DNM1 (0.68) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL23621182 1.00 DNM1 (0.68) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL22677777 1.00 DNM1 (0.68) DNM1MEN1KMT2AALDH1A1TSHR
Dectaflur SCHEMBL21052097 1.00 DNM1 (0.68) DNM1MEN1KMT2AALDH1A1TSHR
Dectaflur SCHEMBL21052096 1.00 DNM1 (0.68) DNM1MEN1KMT2AALDH1A1TSHR

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
US-3984478-A TREATING AN UNSATURATED COMPOUND WITH CARBON MONOXIDE IN A HETEROGENEOUS CATALYST UNIVERSAL OIL PRODUCTS COMPANY (US) 1976-10-05 US disclosed