SCHEMBL23399759

SCHEMBL23399759

CCCc1c(-c2ccc(C)cc2)nn(-c2ccc(C)cc2)c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.62
ESR1 P03372 4/20 0.62
MAPT P10636 4/20 0.62
LMNA P02545 3/20 0.62
TP53 P04637 2/20 0.62
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
TSHR P16473 2/20 0.62
USP2 O75604 2/20 0.62
KDM4E B2RXH2 1/20 0.62
GMNN O75496 1/20 0.62
CYP2D6 P10635 1/20 0.62
ALOX15 P16050 1/20 0.62
ALOX12 P18054 1/20 0.62
NFKB1 P19838 1/20 0.62
MAPK1 P28482 1/20 0.62
THPO P40225 1/20 0.62
BLM P54132 1/20 0.62

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
SCHEMBL23403186 0.93 KMT2A (0.54) KMT2AESR1MAPTLMNATP53
SCHEMBL23401043 0.93 KMT2A (0.54) KMT2AESR1MAPTLMNATP53
SCHEMBL23398485 0.93 MAPT (0.53) KMT2AESR1MAPTLMNATP53
SCHEMBL23402097 0.90 KMT2A (0.51) KMT2AESR1MAPTLMNATP53
SCHEMBL23403111 0.88 KMT2A (0.50) KMT2AESR1MAPTLMNATP53
SCHEMBL23402239 0.87 KDM4E (0.48) KMT2AESR1MAPTLMNATP53
SCHEMBL23399818 0.87 KMT2A (0.48) KMT2AESR1MAPTLMNATP53
SCHEMBL23398802 0.86 KMT2A (0.47) KMT2AESR1MAPTLMNATP53
SCHEMBL23402343 0.86 KMT2A (0.47) KMT2AESR1MAPTLMNATP53
SCHEMBL23402962 0.83 TP53 (0.44) KMT2AESR1MAPTLMNATP53

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