SCHEMBL21751635

SCHEMBL21751635

C[Si](C)(C)CCOC(Br)c1cc2cc[nH]c2nc1OCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HDAC7 Q8WUI4 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MEN1 O00255 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ BACE1 P56817 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTT P42858 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
SCHEMBL21751629 0.81 — —
SCHEMBL21751742 0.81 — —
SCHEMBL23908110 0.73 CYP2C9 (0.33) TSHRCYP2C9
SCHEMBL23908158 0.72 RIPK1 (0.30) —
SCHEMBL21751713 0.71 CDK8 (0.33) —
SCHEMBL21751728 0.70 — —
SCHEMBL21751539 0.70 SLC6A2 (0.32) —
SCHEMBL21751681 0.70 CDK8 (0.36) —
SCHEMBL21751683 0.67 HSP90AA1 (0.30) —
SCHEMBL23908102 0.67 FLT3 (0.38) MAPTMEN1LMNAKMT2AALDH1A1

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
WO-2020041406-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2020-02-27 — — WO disclosed
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