SCHEMBL6883993

SCHEMBL6883993

C[Si](C)(C)C#Cc1ccc(C#Cc2ccc(N3CCOCCOCCN(Cc4ccc(C#N)cc4)CCOCCOCC3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.45
ACACB O00763 1/20 0.43
MMP2 P08253 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
CAMKK2 Q96RR4 1/20 0.41

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
SCHEMBL5051836 0.99 HRH3 (0.46) HRH3ACACBMMP2MMP8MMP13
SCHEMBL14129567 0.90 NPC1 (0.46) HRH3ACACBMMP2MMP8MMP13
SCHEMBL6884731 0.86 HRH3 (0.46) HRH3ACACBMMP2MMP8MMP13
SCHEMBL3020414 0.85 HRH3 (0.57) HRH3MMP2MMP8MMP13
SCHEMBL3012377 0.84 HRH3 (0.59) HRH3MMP2MMP8MMP13
SCHEMBL6889864 0.82 ALDH1A1 (0.48) ACACBMMP2MMP8MMP13
SCHEMBL5056216 0.82 HRH3 (0.48) HRH3
SCHEMBL6888807 0.81 ALDH1A1 (0.51) ACACBMMP2MMP8MMP13
SCHEMBL30206845 0.80 MAPT (0.49) ACACB
SCHEMBL155961 0.80 HRH3 (0.65) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7393598-B2 Light emitting molecules and organic light emitting devices including light emitting molecules HCF PARTNERS, L.P. (US) 2008-07-01 US disclosed
US-20040108509-A1 Light emitting molecules and organic light emitting devices including light emitting molecules GOUGH, NEIL (GB) 2004-06-10 US disclosed