SCHEMBL9404801

SCHEMBL9404801

Cc1ccc(C(C)N[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 1/20 0.36
PHGDH O43175 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 3/20 0.34
PLK1 P53350 1/20 0.34
ALDH1A1 P00352 3/20 0.33
GAA P10253 1/20 0.33
SLC6A4 P31645 1/20 0.33
HPGD P15428 2/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
MAPK1 P28482 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL9404945 0.90 SLC6A4 (0.41) SMN1; SMN2MEN1KMT2ANPSR1KDM4E
SCHEMBL9404938 0.86 CCNE2 (0.42) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL28540861 0.69 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2ANPSR1KDM4E
SCHEMBL28540860 0.69 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2ANPSR1KDM4E
SCHEMBL841941 0.68 TAAR1 (0.34) LMNAALDH1A1MAPK1
SCHEMBL8090683 0.66 GAA (0.63) SMN1; SMN2MEN1KMT2ANPSR1KDM4E
SCHEMBL25490757 0.65 TSHR (0.43) SMN1; SMN2MEN1KMT2AKDM4EL3MBTL1
SCHEMBL10315775 0.65 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2ANPSR1KDM4E
SCHEMBL8254526 0.65 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2ANPSR1KDM4E
SCHEMBL8259486 0.65 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2ANPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0400916-B1 4,5,6,11-Tetrahydrobenzo [6,7]-cycloocta[1,2-b]thiophen-6,11-imines and 6,11-dihydrobenzo[6,7]-cycloocta[1,2-b]thiophen-6,11 imines PFIZER (US) 1994-11-09 EP disclosed
US-5260309-A 4,5,6,11-tetrahydrobenzo [6,7] cycloocta [1,2-b]thiophen-6,11-imines and 6,11-dihydrobenzo [6,7] cycloocta [1,2-b] thiophen-6,11-imines PFIZER INC. (US) 1993-11-09 US disclosed
WO-1990015060-A1 4,5,6,11-TETRAHYDROBENZO[6,7]CYCLOOCTA[1,2-b]THIOPHEN-6,11-IMINES AND 6,11-DIHYDROBENZO[6,7]CYCLOOCTA[1,2-b]THIOPHEN-6,11-IMINES PFIZER INC. (US) 1990-12-13 WO disclosed
EP-0400916-A2 4,5,6,11-Tetrahydrobenzo [6,7]-cycloocta[1,2-b]thiophen-6,11-imines and 6,11-dihydrobenzo[6,7]-cycloocta[1,2-b]thiophen-6,11 imines PFIZER INC. (US) 1990-12-05 EP disclosed