SCHEMBL9075442

SCHEMBL9075442

Cc1cc(C2(c3ccc(Oc4ccc(N)cc4)c(C)c3)CCC(c3ccccc3)CC2)ccc1Oc1ccc(N)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MAOA P21397 1/20 0.36
TNK2 Q07912 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
NLRP3 Q96P20 1/20 0.34
PPARA Q07869 1/20 0.34
ALDH1A1 P00352 6/20 0.34
ALOX15 P16050 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
BRD4 O60885 2/20 0.32
RXRA P19793 1/20 0.32
TRPC6 Q9Y210 1/20 0.32
TEAD4 Q15561 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
SCHEMBL9073190 0.93 SLC6A2 (0.38) NCOA1NCOA3SLC6A2SLC6A4SLC6A3
SCHEMBL9076164 0.91 TEAD4 (0.41) SLC6A2SLC6A4SLC6A3PPARAALDH1A1
SCHEMBL9075958 0.91 PPARA (0.35) TNK2PPARAALDH1A1ALOX15MAPT
SCHEMBL9074335 0.87 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3NPC1RAB9A
SCHEMBL9074348 0.86 NCOA1 (0.38) NCOA1NCOA3SLC6A2SLC6A4SLC6A3
SCHEMBL9075278 0.85 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL9074468 0.84 TEAD4 (0.38) SLC6A2SLC6A4SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL9075138 0.84 MAOA (0.49) NCOA1NCOA3SLC6A2SLC6A4SLC6A3
SCHEMBL9075449 0.83 SPHK1 (0.39)
SCHEMBL9074907 0.83 ALDH1A1 (0.39) SLC6A2SLC6A4SLC6A3ALDH1A1SMN1; SMN2

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-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