SCHEMBL23399178

SCHEMBL23399178

Cc1cccc(-c2c(O)c(-c3ccccc3)nn2C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.50
SRC P12931 4/20 0.46
ABL1 P00519 2/20 0.46
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 3/20 0.38
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADORA1 P30542 1/20 0.38
TSHR P16473 2/20 0.38
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
P2RY6 Q15077 2/20 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
SCHEMBL23399101 0.93 RIPK2 (0.49) RIPK2SRCABL1CNR1CNR2
SCHEMBL23399920 0.87 SRC (0.46) RIPK2SRCABL1SMN1; SMN2HPGD
SCHEMBL23398496 0.86 TDP1 (0.46) RIPK2SRCABL1LMNASMN1; SMN2
SCHEMBL23402906 0.86 TDP1 (0.46) RIPK2SRCABL1LMNASMN1; SMN2
SCHEMBL23399849 0.85 RIPK2 (0.48) RIPK2SRCABL1CNR1CNR2
SCHEMBL23400259 0.82 KMT2A (0.42) CNR1CNR2SMN1; SMN2HPGDALDH1A1
SCHEMBL23401296 0.82 RIPK2 (0.45) RIPK2SRCABL1CNR1CNR2
SCHEMBL31617440 0.81 RIPK2 (0.56) RIPK2SRCABL1CNR1CNR2
SCHEMBL23403057 0.81 CNR1 (0.45) RIPK2SRCABL1CNR1CNR2
SCHEMBL23400071 0.79 RIPK2 (0.47) RIPK2SRCABL1CNR1LMNA

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