SCHEMBL8773631

SCHEMBL8773631

CCOc1ccc(C=Nc2ccccc2C#N)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
ALDH1A1 P00352 5/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
GAA P10253 4/20 0.48
RELA Q04206 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL8773627 1.00 LMNA (0.61) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL6422393 0.89 LMNA (0.58) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL6420527 0.86 LMNA (0.54) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6369640 0.86 LMNA (0.54) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8619952 0.84 LMNA (0.66) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL11773408 0.84 MAOB (0.47) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL16620671 0.79 LMNA (0.71) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL16620673 0.79 LMNA (0.71) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL11587787 0.78 LMNA (0.75) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL11796171 0.78 LMNA (0.75) LMNAALDH1A1MEN1KMT2AGAA

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-3984343-A Liquid crystal mixtures with selectively variable dielectric anisotropies GENERAL ELECTRIC COMPANY (US) 1976-10-05 US claimed
EP-0803525-A2 Chiral anisotropic thermosets (cat) in polymer stabilized liquid crystals Sniaricerche S.C.P.A. (IT) 1997-10-29 EP disclosed
US-3984343-A Liquid crystal mixtures with selectively variable dielectric anisotropies GENERAL ELECTRIC COMPANY (US) 1976-10-05 US disclosed