SCHEMBL9773249

SCHEMBL9773249

CC(Oc1ccc(Br)cc1)N(C)C.[MgH2]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.42
LMNA P02545 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
PYCR1 P32322 2/20 0.37
SLC6A4 P31645 2/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TSHR P16473 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33

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
SCHEMBL6788802 0.98 LDHA (0.44) LDHALMNATDP1PYCR1SLC6A4
SCHEMBL6223043 0.79 LDHA (0.43) LDHALMNATDP1PYCR1SLC6A4
SCHEMBL3821124 0.77 TDP1 (0.44) TDP1MAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL2215535 0.77 CYP1A2 (0.33) MAPK1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL2213115 0.77 CYP1A2 (0.33) KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL4886698 0.76 LDHA (0.40) LDHALMNATDP1SLC6A4SLC6A2
SCHEMBL7929544 0.76 CYP1A2 (0.34) LMNAMAPTALDH1A1KMT2ACYP1A2
SCHEMBL7015768 0.76 MAOA (0.46) LMNASLC6A4ALDH1A1MEN1KMT2A
SCHEMBL2281906 0.75 ALDH1A3 (0.52) LDHALMNATDP1SLC6A4MAPT
SCHEMBL8431691 0.75 LDHA (0.50) LDHALMNATDP1SLC6A4MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5043332-A Novel 11β-substituted -19-nor-steriods ROUSSEL UCLAF (FR) 1991-08-27 US disclosed
US-4978657-A Antiprogesterones, antiglucocorticoids ROUSSEL UCLAF (FR) 1990-12-18 US disclosed
US-4634695-A GLUCOCORTICOID INHIBITORS ROUSSEL UCLAF (FR) 1987-01-06 US disclosed
US-4519946-A ANTIARTHRITIC, ANTIDIABETIC, ANTISECRETORY, AND HYPOTENSIVE AGENTS ROUSSEL UCLAF (FR) 1985-05-28 US disclosed
US-4447424-A ANTIFERTILITY, ANTIINFLAMMATORY AGENT, HORMONE INHIBITOR ROUSSEL UCLAF (FR) 1984-05-08 US disclosed
US-4386085-A ANTIGLUCOCORTICOIDS ROUSSELL UCLAF (FR) 1983-05-31 US disclosed
US-4206234-A Triphenylbut-1-ene derivatives and pharmaceutical compositions and uses thereof IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-06-03 US disclosed