SCHEMBL20045013

SCHEMBL20045013

C/C(=C\C(=O)O)c1ccc(NC(=O)c2cc([Si](C)(C)C)cc(S(C)(C)C)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NR4A1 P22736 1/20 0.36
NR4A2 P43354 1/20 0.36
NR4A3 Q92570 1/20 0.36
DEGS1 O15121 1/20 0.36
POLB P06746 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MEN1 O00255 2/20 0.35
HPGD P15428 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35

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
SCHEMBL3019610 0.89 CACNA1B (0.43) KMT2AKDM4EMAPTCACNA1BAPBA1
SCHEMBL3019605 0.89 CACNA1B (0.43) KMT2AKDM4EMAPTCACNA1BAPBA1
SCHEMBL3019608 0.89 CACNA1B (0.43) KMT2AKDM4EMAPTCACNA1BAPBA1
SCHEMBL19450260 0.89 CACNA1B (0.43) KMT2AKDM4ELMNAMAPTMAPK1
SCHEMBL3024837 0.77 NR4A1 (0.40) KMT2AKDM4EMAPTSMN1; SMN2NR4A1
SCHEMBL3024833 0.77 NR4A1 (0.40) KMT2AKDM4EMAPTSMN1; SMN2NR4A1
SCHEMBL3024838 0.77 NR4A1 (0.40) KMT2AKDM4EMAPTSMN1; SMN2NR4A1
SCHEMBL3012222 0.77 RAB9A (0.44) KMT2AMAPTSMN1; SMN2POLBMEN1
SCHEMBL3012218 0.77 RAB9A (0.44) KMT2AMAPTSMN1; SMN2POLBMEN1
SCHEMBL3012216 0.77 RAB9A (0.44) KMT2AMAPTSMN1; SMN2POLBMEN1

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-2018067946-A1 METHODS OF TREATING PATIENTS WITH A RETINOIC ACID RECEPTOR-ALPHA AGONIST AND AN ANTI-CD38 ANTIBODY SYROS PHARMACEUTICALS, INC. (US) 2018-04-12 WO disclosed