SCHEMBL23400342

SCHEMBL23400342

CCCCc1nn(-c2ccc(C)cc2)c(O)c1CCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.38
MAPK1 P28482 3/20 0.38
MAPT P10636 3/20 0.38
NFKB1 P19838 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GMNN O75496 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP2C19 P33261 1/20 0.38
THPO P40225 1/20 0.38

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
SCHEMBL23402250 0.97 TP53 (0.42) TP53MAPK1MAPTNFKB1KMT2A
SCHEMBL23403675 0.96 TP53 (0.36) TP53MAPK1MAPTNFKB1KMT2A
SCHEMBL23401847 0.95 TP53 (0.40) TP53MAPK1MAPTNFKB1KMT2A
SCHEMBL23403298 0.92 PDE4A (0.38) TP53MAPK1MAPTNFKB1KMT2A
SCHEMBL23400094 0.91 GCGR (0.33) TP53MAPK1MAPTNFKB1KMT2A
SCHEMBL23400401 0.89 TP53 (0.36) TP53MAPK1MAPTNFKB1KMT2A
SCHEMBL23402962 0.89 TP53 (0.44) TP53MAPK1MAPTNFKB1KMT2A
SCHEMBL23402141 0.88 USP2 (0.45) MAPK1MAPTKMT2AUSP2LMNA
SCHEMBL23402203 0.87 KDM4E (0.35) TP53MAPK1MAPTNFKB1KMT2A
SCHEMBL23399691 0.86 TP53 (0.40) TP53MAPK1MAPTNFKB1KMT2A

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