SCHEMBL9534932

SCHEMBL9534932

C=C1CC(N)c2ccccc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NISCH Q9Y2I1 1/20 0.40
ATM Q13315 2/20 0.39
CYP2C9 P11712 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
USP2 O75604 1/20 0.34
HTR2A P28223 5/20 0.33
HTR2C P28335 4/20 0.33
HRH1 P35367 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 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
SCHEMBL15177926 0.77 MAOA (0.41) MAOAMAOBNISCHATMCYP2C9
SCHEMBL7360792 0.77 ALDH1A1 (0.43) MAOAMAOBATMCYP2C9MEN1
SCHEMBL21847060 0.77 MAOA (0.50) MAOAMAOBNISCHATMCYP2C9
Hydrochloric Acid SCHEMBL6776863 0.76 MAOA (0.39) MAOAMAOBNISCHATMCYP2C9
Hydrochloric Acid SCHEMBL6782851 0.76 ALDH1A1 (0.42) MAOAMAOBATMCYP2C9MEN1
SCHEMBL15946158 0.74 ALDH1A1 (0.44) MAOAMAOBMEN1KMT2ALMNA
SCHEMBL29413779 0.68 MAOA (0.58) MAOAMAOBNISCHATMCYP2C9
SCHEMBL88261 0.68 MAOA (0.58) MAOAMAOBNISCHATMCYP2C9
SCHEMBL21077530 0.67 ATM (0.38) MAOAMAOBNISCHATMCYP2C9
SCHEMBL507362 0.67 LTB4R (0.43) NISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0540690-A1 PHOTOCHROMIC CHROMENE COMPOUNDS. PPG INDUSTRIES INC (US) 1993-05-12 EP claimed
EP-0540690-A4 PHOTOCHROMIC CHROMENE COMPOUNDS. PPG INDUSTRIES INC (US) 1993-02-12 EP claimed
WO-1992001959-A1 PHOTOCHROMIC CHROMENE COMPOUNDS PPG INDUSTRIES, INC. (US) 1992-02-06 WO claimed
EP-0114374-B1 SUBSTITUTED 4-AMINOMETHYLENE CHROMANS OR CHROMENES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICINES BAYER AG (DE) 1986-07-23 EP disclosed