SCHEMBL23401367

SCHEMBL23401367

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 3/20 0.53
SRC P12931 3/20 0.46
ABL1 P00519 1/20 0.46
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
TP53 P04637 3/20 0.36
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GMNN O75496 1/20 0.35
USP2 O75604 1/20 0.35
ESR1 P03372 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 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
SCHEMBL23399530 0.94 RIPK2 (0.49) RIPK2SRCABL1TP53MAPT
SCHEMBL23399111 0.90 RIPK2 (0.52) RIPK2SRCABL1TP53MAPT
SCHEMBL23398769 0.85 KDM4E (0.42) RIPK2SRCABL1TP53MAPT
SCHEMBL23400687 0.84 LMNA (0.44) RIPK2SRCABL1TP53MAPT
SCHEMBL23402568 0.84 RIPK2 (0.49) RIPK2SRCABL1MAPTKMT2A
SCHEMBL23401175 0.83 TLR8 (0.40) RIPK2CTSSCTSKTP53MAPT
SCHEMBL23402179 0.82 ALDH1A1 (0.45) RIPK2CTSSCTSKTP53MAPT
SCHEMBL23399757 0.82 RIPK2 (0.38) RIPK2CTSSCTSKTP53MAPT
SCHEMBL23399731 0.81 RIPK2 (0.56) RIPK2SRCABL1MAPTKMT2A
SCHEMBL23398636 0.80 HSD11B1 (0.40) SRCABL1TP53MAPTKMT2A

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