SCHEMBL23401175

SCHEMBL23401175

CCCc1c(-c2cccc(C)c2)nn(C)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.40
RIPK2 O43353 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 2/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GMNN O75496 1/20 0.37
USP2 O75604 1/20 0.37
ESR1 P03372 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL23399119 0.93 TLR8 (0.44) TLR8SMN1; SMN2TP53POLBKDM4E
SCHEMBL23402944 0.89 SMN1; SMN2 (0.39) TLR8RIPK2SMN1; SMN2TP53POLB
SCHEMBL23401974 0.86 ESR1 (0.41) TLR8RIPK2CTSSCTSKNPC1
SCHEMBL23399757 0.85 RIPK2 (0.38) TLR8RIPK2CTSSCTSKNPC1
SCHEMBL23402346 0.84 TLR8 (0.42) TLR8RIPK2CTSSCTSKTP53
SCHEMBL23400703 0.84 SMN1; SMN2 (0.49) SMN1; SMN2TP53POLBLMNAMAPT
SCHEMBL23402654 0.84 SRC (0.46) TLR8RIPK2CTSSCTSKNPC1
SCHEMBL23401367 0.83 RIPK2 (0.53) TLR8RIPK2CTSSCTSKTP53
SCHEMBL23402179 0.83 ALDH1A1 (0.45) TLR8RIPK2CTSSCTSKNPC1
SCHEMBL23398856 0.82 MAPT (0.47) TLR8NPC1RAB9ASMN1; SMN2TP53

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