SCHEMBL8539436

SCHEMBL8539436

CC1CCC(C(C)(C)c2ccc(Oc3cccc(N)c3)cc2)C(c2ccccc2Oc2cccc(N)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.41
MAOB P27338 1/20 0.40
HTR1A P08908 4/20 0.35
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 4/20 0.35
ALDH1A1 P00352 5/20 0.34
LTA4H P09960 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
MITF O75030 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33
NLRP1 Q9C000 1/20 0.33
NOD2 Q9HC29 1/20 0.33
LCK P06239 1/20 0.32
KDR P35968 1/20 0.32
TEK Q02763 1/20 0.32

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
SCHEMBL8698973 0.91 KDM1A (0.42) KDM1AHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL9100119 0.75 ALDH1A1 (0.32) ALDH1A1MAPTNPC1HPGDMAPK1
SCHEMBL8972892 0.72 MAOB (0.41) MAOBALDH1A1LTA4HSMN1; SMN2MAPT
SCHEMBL9770117 0.71 TRPV1 (0.39) MAOBALDH1A1MAPTHPGD
SCHEMBL8202662 0.69 KDM1A (0.45) KDM1AHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL6290521 0.69 MAOB (0.77) MAOBALDH1A1LTA4HSMN1; SMN2MAPT
SCHEMBL6290463 0.69 MAOB (0.77) MAOBALDH1A1LTA4HSMN1; SMN2MAPT
SCHEMBL6289841 0.69 MAOB (0.77) MAOBALDH1A1LTA4HSMN1; SMN2MAPT
SCHEMBL6293868 0.69 MAOB (0.77) MAOBALDH1A1LTA4HSMN1; SMN2MAPT
SCHEMBL1269982 0.69 MAOB (0.77) MAOBALDH1A1LTA4HSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5750789-A FROM CORRESPONDING DIAMINE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-05-12 US claimed
US-5750789-A FROM CORRESPONDING DIAMINE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-05-12 US disclosed
US-5734008-A AROMATIC ETHERDIAMINES FOR POLYIMIDE FILMS FOR PRINTED CIRCUITS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-03-31 US disclosed