SCHEMBL9075138

SCHEMBL9075138

Nc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(N)cc5)cc4)CCC(c4ccccc4)CC3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.49
ALDH1A1 P00352 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NLRP3 Q96P20 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
MAPT P10636 4/20 0.39
MITF O75030 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NLRP1 Q9C000 1/20 0.39
NOD2 Q9HC29 1/20 0.39

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
SCHEMBL9280585 0.86 TEAD4 (0.53) MAOAALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL9073223 0.84 ALDH1A1 (0.51) MAOAALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL9073190 0.84 SLC6A2 (0.38) MAOAALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL9075442 0.84 NCOA1 (0.38) MAOAALDH1A1MEN1KMT2ANPC1
SCHEMBL9074348 0.84 NCOA1 (0.38) MAOAALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL9073306 0.84 NCOA1 (0.35) MAOAALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL9073407 0.82 CYP19A1 (0.39) MAOAALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL19387724 0.82 MAOB (0.49) MAOAALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL1305916 0.81 ALDH1A1 (0.47) MAOAALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL9073398 0.81 ALDH1A1 (0.37) MAOAALDH1A1L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6157434-A None JP disclosed
US-5545444-A Diamino compounds and liquid crystal aligning films CHISSO CORPORATION (JP) 1996-08-13 US disclosed
US-5430195-A Diamino compounds and liquid crystal aligning films CHISSO CORPORATION (JP) 1995-07-04 US disclosed
US-5414126-A Diamino compounds and liquid crystal aligning films CHISSO CORPORATION (JP) 1995-05-09 US disclosed
JP-H06157434-A DIAMINO COMPOUND AND ITS INTERMEDIATE CHISSO CORP 1994-06-03 JP disclosed