SCHEMBL9561444

SCHEMBL9561444

c1ccc(N(c2ccccc2)c2ccc(CCc3ccc(CCc4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
MAPT P10636 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
KCNH2 Q12809 2/20 0.45
CRHBP P24387 1/20 0.45
ATM Q13315 1/20 0.45
CRHR2 Q13324 1/20 0.45
TLR9 Q9NR96 1/20 0.45
CHRM2 P08172 1/20 0.45

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
SCHEMBL24231223 1.00 ALDH1A1 (0.54) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL10425245 0.97 TDP1 (0.52) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL29101997 0.95 MAOB (0.54) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL14727198 0.91 KCNH2 (0.48) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL13698980 0.91 MAOA (0.46) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL19012305 0.91 MAOA (0.46) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL13569444 0.89 CHKA (0.50) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL8925774 0.89 ESR1 (0.58) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL21390390 0.89 CYP2C19 (0.52) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL9561944 0.89 MAOA (0.50) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2

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
JP-1085950-A None JP disclosed
US-5250377-A Durable, highly photosensitive RICOH COMPANY, LTD. (JP) 1993-10-05 US disclosed
US-5159087-A High photosensitivity, durability RICOH COMPANY, LTD. (JP) 1992-10-27 US disclosed
US-4886846-A CHARGE TRANSFER COMPOUNDS RICOH COMPANY, LTD. (JP) 1989-12-12 US disclosed