SCHEMBL9803465

SCHEMBL9803465

C[Si](C)(C)c1ccc2cc(C#N)c(C#N)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.44
MAPT P10636 5/20 0.44
CASP1 P29466 4/20 0.44
CASP7 P55210 3/20 0.44
NSD2 O96028 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
CASP6 P55212 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
SLC6A4 P31645 1/20 0.39
GLA P06280 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 4/20 0.35
CLK1 P49759 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
HSD17B10 Q99714 3/20 0.35

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
SCHEMBL3284603 0.80 ACHE (0.35) CASP1CASP7ALDH1A1HSD17B10TDP1
SCHEMBL13196331 0.78 CYP2A6 (0.41) TDP1
SCHEMBL9804773 0.74 ALDH1A1 (0.44) MAPTCASP1CASP7TSHRSMN1; SMN2
SCHEMBL22960091 0.74 ALDH1A1 (0.44) MAPTCASP1CASP7TSHRSMN1; SMN2
SCHEMBL13347773 0.72 CYP2A6 (0.59) KDM4EMAPTCASP1CASP7NSD2
SCHEMBL1271039 0.72 CA1 (0.42) KDM4EMAPTCASP1CASP7NSD2
SCHEMBL30718953 0.72 CA1 (0.42) KDM4EMAPTCASP1CASP7NSD2
SCHEMBL13264077 0.72 TRPV4 (0.39)
SCHEMBL27774255 0.72 AR (0.33) KDM4EALDH1A1
SCHEMBL9514308 0.72 MAOB (0.42) KDM4EMAPTCASP1CASP7NSD2

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
EP-0279501-B1 NOVEL NAPHTHALOCYANINE DYE,METHOD FOR PREPARING THE SAME, AND OPTICAL INFORMATION RECORDING MEDIUM EMPLOYING THE SAME Hitachi Chemical Co., Ltd. (JP) 1991-04-03 EP disclosed
US-4927735-A READING STABILITY HITACHI CHEMICAL COMPANY, LTD. (JP) 1990-05-22 US disclosed
EP-0279501-A1 Novel naphthalocyanine dye,method for preparing the same, and optical information recording medium employing the same Hitachi Chemical Co., Ltd. (JP) 1988-08-24 EP disclosed