SCHEMBL23399773

SCHEMBL23399773

CCCCc1c(-c2ccc(C)cc2)nn(C)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 4/20 0.40
LMNA P02545 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
TP53 P04637 2/20 0.40
NFKB1 P19838 2/20 0.40
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ESR1 P03372 2/20 0.40
TLR8 Q9NR97 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GMNN O75496 1/20 0.40
USP2 O75604 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 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
SCHEMBL23398856 0.92 MAPT (0.47) SMN1; SMN2POLBMAPTLMNAKMT2A
SCHEMBL23398972 0.88 SMN1; SMN2 (0.47) SMN1; SMN2POLBMAPTLMNAKMT2A
SCHEMBL23402982 0.86 SMN1; SMN2 (0.46) SMN1; SMN2POLBMAPTLMNAKMT2A
SCHEMBL23399445 0.85 ESR1 (0.44) SMN1; SMN2MAPTLMNAKMT2ACYP1A2
SCHEMBL23401566 0.85 ESR1 (0.44) SMN1; SMN2POLBMAPTLMNAKMT2A
SCHEMBL23400606 0.84 KMT2A (0.39) SMN1; SMN2POLBMAPTLMNAKMT2A
SCHEMBL23399119 0.83 TLR8 (0.44) SMN1; SMN2POLBTP53TLR8KDM4E
SCHEMBL23402825 0.82 GCGR (0.41) SMN1; SMN2POLBMAPTLMNAKMT2A
SCHEMBL23398485 0.82 MAPT (0.53) SMN1; SMN2POLBMAPTLMNAKMT2A
SCHEMBL23401638 0.81 ALDH1A1 (0.41) SMN1; SMN2POLBMAPTLMNAKMT2A

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