SCHEMBL21048458

SCHEMBL21048458

CC1(C)CC2(CC(C)(C)c3ccc(N)cc32)c2cc(N)ccc21.CC1(C)CC2(CC(C)(C)c3ccc(N)cc3O2)Oc2cc(N)ccc21

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
MITF O75030 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL1501515 0.91 MAPT (0.46) MAPTMEN1MITFGAAMAPK1
SCHEMBL806947 0.84 KDM4E (0.36) MAPTMEN1GAAKMT2ASMN1; SMN2
SCHEMBL31534581 0.84 KDM4E (0.36) MAPTMEN1GAAKMT2ASMN1; SMN2
SCHEMBL9054386 0.78 MAPT (0.42) MAPTMEN1MITFGAAMAPK1
SCHEMBL17055594 0.78 PDK2 (0.37) MAPTMEN1GAAKMT2ASMN1; SMN2
SCHEMBL29549031 0.77 BACE1 (0.33) MAPTMEN1GAAMAPK1KMT2A
SCHEMBL9326911 0.77 BACE1 (0.33) MAPTMEN1GAAMAPK1KMT2A
SCHEMBL10071847 0.74 SMN1; SMN2 (0.37) MAPTMEN1MITFGAAMAPK1
SCHEMBL9446453 0.73 KDM4E (0.38) MAPTMEN1GAAKMT2ASMN1; SMN2
SCHEMBL7525432 0.73 KDM4E (0.34) SMN1; SMN2TDP1KDM4EALDH1A1

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
EP-2173787-B1 CRYSTALLIZABLE POLYETHERIMIDES, METHOD OF MANUFACTURE, AND ARTICLES DERIVED THEREFROM SABIC GLOBAL TECHNOLOGIES BV (NL) 2019-06-12 EP disclosed