SCHEMBL13377407

SCHEMBL13377407

C=C(C)N(/C(C)=C\C)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 4/20 0.31
FAAH O00519 1/20 0.31
PHGDH O43175 1/20 0.31
MGLL Q99685 1/20 0.31
GLA P06280 1/20 0.31
TSHR P16473 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
HTT P42858 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31

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
SCHEMBL24342473 1.00 KMT2A (0.34) KMT2AMEN1LMNAL3MBTL1NPSR1
SCHEMBL11168711 0.84 MEN1 (0.40) KMT2AMEN1LMNAL3MBTL1NPSR1
SCHEMBL21795024 0.81 LMNA (0.31) KMT2AMEN1LMNAL3MBTL1
SCHEMBL26321192 0.81 ALDH1A1 (0.33) KMT2AMEN1LMNAL3MBTL1NPSR1
SCHEMBL18745271 0.78 NPSR1 (0.48) KMT2AMEN1LMNAL3MBTL1NPSR1
SCHEMBL20662979 0.78 MEN1 (0.33) KMT2AMEN1NPSR1ALDH1A1FAAH
SCHEMBL12334814 0.77 CRHBP (0.46) KMT2AMEN1L3MBTL1NPSR1ALDH1A1
SCHEMBL25633940 0.75 ALDH1A1 (0.31) ALDH1A1
SCHEMBL28449517 0.72 RAB9A (0.44) KMT2AMEN1LMNAL3MBTL1NPSR1
SCHEMBL10908275 0.72 ALDH1A1 (0.55) KMT2AMEN1LMNANPSR1ALDH1A1

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-3552664-A1 PROTEOSTASIS REGULATORS Proteostasis Therapeutics, Inc. (US) 2019-10-16 EP disclosed
EP-1832928-B1 Planographic printing plate precursor, and stacks of the same FUJIFILM CORP (JP) 2010-04-28 EP disclosed