SCHEMBL10693219

SCHEMBL10693219

C[Si](C)(Cc1ccc([Si](C)(C)C)cc1)CN1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.46
HRH4 Q9H3N8 1/20 0.42
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 3/20 0.41
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38
NCF1 P14598 1/20 0.38
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.37
ESRRG P62508 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
Hydrochloric Acid SCHEMBL7336348 0.83 HRH3 (0.46) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL2109908 0.83 HRH3 (0.46) HRH3HRH4ALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL5673726 0.82 HRH3 (0.44) HRH3HRH4ALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL7331038 0.82 ALDH1A1 (0.61) HRH3HRH4ALDH1A1KDM4EPOLB
SCHEMBL7333053 0.81 SIGMAR1 (0.45) HRH3HRH4ALDH1A1KDM4ENCF1
Hydrochloric Acid SCHEMBL7339087 0.81 HRH3 (0.51) HRH3HRH4ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL7331669 0.81 SIGMAR1 (0.49) HRH3ALDH1A1KMT2A
SCHEMBL10695755 0.81 SIGMAR1 (0.55) HRH3HRH4ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7336557 0.80 KDM4E (0.58) HRH3HRH4ALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL7338771 0.80 SIGMAR1 (0.44) HRH3HRH4ALDH1A1KDM4ESMN1; SMN2

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-0241429-A2 Microbicidal silanes CIBA-GEIGY AG (CH) 1987-10-14 EP claimed
US-4762826-A FUNGICIDES FOR PLANTS CIBA-GEIGY CORPORATION (US) 1988-08-09 US disclosed
EP-0241429-A2 Microbicidal silanes CIBA-GEIGY AG (CH) 1987-10-14 EP disclosed