SCHEMBL11225980

SCHEMBL11225980

C=CCNc1cc(Oc2ccccc2)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.49
MAPT P10636 6/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
TDP1 Q9NUW8 2/20 0.43
TTR P02766 1/20 0.43
ALB P02768 1/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MLNR O43193 1/20 0.40
MMP1 P03956 1/20 0.40
MPO P05164 1/20 0.40

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
Hydrochloric Acid SCHEMBL11239731 0.81 HTR6 (0.46) MAPTMEN1KMT2ATDP1TTR
SCHEMBL11075975 0.81 HCAR3 (0.44) HCAR3MAPTMEN1KMT2AL3MBTL1
SCHEMBL11074643 0.81 MAPT (0.53) HCAR3MAPTMEN1KMT2AL3MBTL1
SCHEMBL11071374 0.77 MEN1 (0.56) MAPTMEN1KMT2AL3MBTL1TDP1
SCHEMBL10977063 0.77 TDP1 (0.56) MAPTMEN1KMT2ATDP1TTR
SCHEMBL11246516 0.75 MAPT (0.48) MAPTMEN1KMT2ATDP1TTR
SCHEMBL11100238 0.73 MEN1 (0.59) MAPTMEN1KMT2ATDP1TTR
SCHEMBL11098406 0.73 KMT2A (0.44) HCAR3MAPTMEN1KMT2AL3MBTL1
SCHEMBL10975930 0.72 MEN1 (0.57) MAPTMEN1KMT2ATDP1TTR
SCHEMBL11079813 0.72 MEN1 (0.51) MAPTMEN1KMT2AL3MBTL1TDP1

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
US-4364875-A AMINATION, ISOMER-FREE END-PRODUCTS CELAMERCK GMBH & CO. KG (DE) 1982-12-21 US disclosed
EP-0027555-A1 Process for the preparation of diphenyl ethers CELAMERCK GmbH & Co. KG (DE) 1981-04-29 EP disclosed