SCHEMBL14822807

SCHEMBL14822807

CC(=N)c1ccc(C(=O)NC[Si](C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 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
SCHEMBL902680 0.79 GAA (0.61) ALDH1A1LMNAPOLBKMT2AHDAC1
SCHEMBL4745065 0.79 SMN1; SMN2 (0.41) ALDH1A1LMNAPOLBCA1CA2
SCHEMBL28003685 0.79 EPHX2 (0.55) KMT2AHDAC1HDAC6EPHX2NR1H4
SCHEMBL9997413 0.78 CYP1A2 (0.57) ALDH1A1CA1KDM4EKMT2ACA9
SCHEMBL21309871 0.77 EPHX2 (0.54) ALDH1A1LMNAPOLBHDAC1HDAC6
SCHEMBL28003687 0.77 CES2 (0.44) KMT2AHDAC1HDAC6EPHX2NR1H4
SCHEMBL3439095 0.76 MEN1 (0.57) ALDH1A1POLBCA1CA2KMT2A
SCHEMBL12727782 0.75 MMP2 (0.49) POLBKDM4EKMT2ARAB9ANPC1
SCHEMBL901725 0.71 HPGD (0.52) ALDH1A1POLBKMT2AHDAC1HDAC6
SCHEMBL902163 0.70 MAPT (0.50) ALDH1A1LMNAPOLBKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410141-B2 Insecticidal arylpyrrolines BAYER CROPSCIENCE AG (DE) 2013-04-02 US disclosed