SCHEMBL23398485

SCHEMBL23398485

CCCCc1c(-c2ccc(C)cc2)nn(-c2ccc(C)cc2)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
ESR1 P03372 3/20 0.53
KMT2A Q03164 3/20 0.53
TP53 P04637 3/20 0.53
LMNA P02545 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
TSHR P16473 2/20 0.53
NFKB1 P19838 2/20 0.53
MAPK1 P28482 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
KDM4E B2RXH2 1/20 0.53
GMNN O75496 1/20 0.53
USP2 O75604 1/20 0.53
CYP2D6 P10635 1/20 0.53
ALOX15 P16050 1/20 0.53
ALOX12 P18054 1/20 0.53
THPO P40225 1/20 0.53

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
SCHEMBL23402343 0.93 KMT2A (0.47) MAPTESR1KMT2ATP53LMNA
SCHEMBL23398802 0.93 KMT2A (0.47) MAPTESR1KMT2ATP53LMNA
SCHEMBL23399759 0.93 KMT2A (0.62) MAPTESR1KMT2ATP53LMNA
SCHEMBL23401683 0.90 LMNA (0.44) MAPTESR1KMT2ATP53LMNA
SCHEMBL23398560 0.87 LMNA (0.41) MAPTESR1KMT2ATP53LMNA
SCHEMBL23402799 0.87 KMT2A (0.45) MAPTESR1KMT2ATP53LMNA
SCHEMBL23403111 0.87 KMT2A (0.50) MAPTESR1KMT2ATP53LMNA
SCHEMBL23401043 0.86 KMT2A (0.54) MAPTESR1KMT2ATP53LMNA
SCHEMBL23403186 0.86 KMT2A (0.54) MAPTESR1KMT2ATP53LMNA
SCHEMBL23399624 0.86 KMT2A (0.47) MAPTESR1KMT2ATP53LMNA

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