SCHEMBL9075446

SCHEMBL9075446

Cc1ccc(C2CCC(c3ccc(Oc4ccc(N)cc4C(F)(F)F)cc3)(c3ccc(Oc4ccc(N)cc4C(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.35
HTR2A P28223 1/20 0.35
KCNH2 Q12809 1/20 0.35
SYK P43405 1/20 0.34
TEAD4 Q15561 1/20 0.34
AR P10275 6/20 0.33
MAPT P10636 3/20 0.33
POLB P06746 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A3 Q01959 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
RAB9A P51151 1/20 0.32
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
FFAR1 O14842 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL9075467 0.94 TEAD4 (0.37) SLC6A4HTR2AKCNH2SYKTEAD4
SCHEMBL9075021 0.89 NCOA1 (0.33) SLC6A4ARPOLBALDH1A1SLC6A2
SCHEMBL9075872 0.89 L3MBTL1 (0.33) SLC6A4ARMAPTSLC6A2SLC6A3
SCHEMBL9074187 0.87 AR (0.32) SLC6A4ARMAPTALDH1A1SLC6A2
SCHEMBL9075126 0.86 TEAD4 (0.36) SLC6A4HTR2AKCNH2TEAD4MAPT
SCHEMBL9074468 0.86 TEAD4 (0.38) SLC6A4TEAD4MAPTPOLBALDH1A1
SCHEMBL9074011 0.86 S1PR1 (0.37)
SCHEMBL9074573 0.85 SPHK1 (0.40)
SCHEMBL9074704 0.84 SPHK1 (0.42)
SCHEMBL9074181 0.84 SPHK1 (0.42)

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