SCHEMBL23403182

SCHEMBL23403182

Cc1ccc(-c2nn(C)c(C(C)C)c2O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 1/20 0.37
RECQL P46063 1/20 0.36
HPGD P15428 2/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATM Q13315 1/20 0.34
CNR1 P21554 2/20 0.33
TDP2 O95551 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
NAMPT P43490 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
RPS6KA3 P51812 1/20 0.33
HSP90AA1 P07900 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
SCHEMBL23398719 0.85 RECQL (0.50) SMN1; SMN2POLBRECQLMAPTLMNA
SCHEMBL23401036 0.82 EGFR (0.39) HPGDALDH1A1CNR1MEN1NPC1
SCHEMBL23400754 0.81 ESR1 (0.42) SMN1; SMN2POLBMAPTLMNAALDH1A1
SCHEMBL23399842 0.80 ESR1 (0.44) SMN1; SMN2MAPTALDH1A1ATMMEN1
SCHEMBL23400136 0.80 RIPK2 (0.44) SMN1; SMN2HPGDLMNAALDH1A1TDP1
SCHEMBL23401897 0.80 RAB9A (0.38) SMN1; SMN2MAPTALDH1A1ATMMEN1
SCHEMBL23400489 0.79 SMN1; SMN2 (0.40) SMN1; SMN2POLBHPGDMAPTLMNA
SCHEMBL23398870 0.79 SMN1; SMN2 (0.40) SMN1; SMN2POLBHPGDMAPTLMNA
SCHEMBL23402628 0.78 RAB9A (0.37) SMN1; SMN2HPGDMAPTALDH1A1ATM
SCHEMBL23400788 0.77 RECQL (0.42) SMN1; SMN2POLBRECQLHPGDMAPT

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