SCHEMBL23398786

SCHEMBL23398786

Cc1ccc(-c2[nH]n(-c3ccc(C)cc3)c(=O)c2C(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
PTPN11 Q06124 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
F2 P00734 1/20 0.39
ELANE P08246 1/20 0.39
CTSG P08311 1/20 0.39
CMA1 P23946 1/20 0.39
CTRC Q99895 1/20 0.39
MAPT P10636 5/20 0.38
GAA P10253 3/20 0.37
HPGD P15428 2/20 0.37
MGLL Q99685 1/20 0.37
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 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
SCHEMBL23402730 0.93 MEN1 (0.49) MEN1KMT2AMAPTGAAHPGD
SCHEMBL23402484 0.93 MEN1 (0.49) SMN1; SMN2MEN1KMT2AMAPTGAA
SCHEMBL23401452 0.86 HPGD (0.39) SMN1; SMN2MEN1KMT2AMAPTGAA
SCHEMBL23402431 0.86 ALKBH5 (0.42) SMN1; SMN2MEN1KMT2AMAPTGAA
SCHEMBL23402482 0.83 ALKBH3 (0.46) PTPN1PTPN6PTPN11SMN1; SMN2MEN1
SCHEMBL23402651 0.83 MEN1 (0.58) MEN1KMT2AMAPTGAAHPGD
SCHEMBL23398850 0.81 ALKBH3 (0.36) MEN1KMT2AMAPTGAAHPGD
SCHEMBL23400871 0.81 MAPT (0.48) SMN1; SMN2MEN1KMT2AMAPTGAA
SCHEMBL23401248 0.81 ADORA2B (0.38) MEN1KMT2AMAPTGAAHPGD
SCHEMBL23399321 0.81 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2AF2ELANE

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed