SCHEMBL16320650

SCHEMBL16320650

C[Si](C)(C)Nc1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 4/20 0.38
GABRB2 P47870 4/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
PDE2A O00408 2/20 0.37
RAPGEF4 Q8WZA2 1/20 0.37
GABRB3 P28472 4/20 0.36
MAPK1 P28482 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36

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
SCHEMBL1768628 0.77 PDE2A (0.40) GABRA2GABRB2ALDH1A1SMN1; SMN2PDE2A
SCHEMBL16320344 0.76 RAPGEF4 (0.42) ALDH1A1RAPGEF4KMT2ALMNAHTT
SCHEMBL241686 0.72 ALDH1A1 (0.42) GABRA2GABRB2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL16340964 0.72 MAPT (0.46) ALDH1A1RAPGEF4LMNA
SCHEMBL9725591 0.72 PDE2A (0.40) GABRA2GABRB2ALDH1A1SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL5745583 0.71 ALDH1A1 (0.41) GABRA2GABRB2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL18593305 0.71 RAPGEF4 (0.46) GABRA2GABRB2ALDH1A1SMN1; SMN2PDE2A
SCHEMBL13550111 0.70 RAPGEF4 (0.44) GABRA2GABRB2ALDH1A1PDE2ARAPGEF4
SCHEMBL10280738 0.69 GABRA2 (0.38) GABRA2GABRB2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7801589 0.69 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EMAPK1KMT2A

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-9441059-B2 Metathesis catalysts and methods thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-09-13 US disclosed
US-20140378637-A1 METATHESIS CATALYSTS AND METHODS THEREOF NATIONAL SCIENCE FOUNDATION 2014-12-25 US disclosed