SCHEMBL7057519

SCHEMBL7057519

CCCCC(CC)COc1nc(-c2ccc(OC)cc2)nc(-c2ccccc2O)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.41
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
ATM Q13315 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 6/20 0.39
HPGD P15428 3/20 0.39
TSHR P16473 3/20 0.39
POLB P06746 2/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALOX15 P16050 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 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
SCHEMBL7093852 0.89 NPC1 (0.40) LMNAMEN1KMT2AATMTDP1
SCHEMBL28678998 0.88 LMNA (0.38) LMNAMEN1KMT2AATMTDP1
SCHEMBL31453286 0.87 LMNA (0.49) LMNAMEN1KMT2AATMTDP1
SCHEMBL24431551 0.87 LMNA (0.40) LMNAMEN1KMT2AATMTDP1
SCHEMBL10195000 0.85 TDP1 (0.43) LMNAMEN1KMT2ATDP1MAPT
Bemotrizinol SCHEMBL77320 0.85 TDP1 (0.43) LMNAMEN1KMT2ATDP1MAPT
Bemotrizinol SCHEMBL29350308 0.85 TDP1 (0.43) LMNAMEN1KMT2ATDP1MAPT
Bemotrizinol SCHEMBL29360093 0.85 TDP1 (0.43) LMNAMEN1KMT2ATDP1MAPT
SCHEMBL29354615 0.85 LMNA (0.36) LMNAMEN1KMT2AATMTDP1
Bemotrizinol SCHEMBL4563326 0.85 LMNA (0.36) LMNAMEN1KMT2AATMTDP1

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-1306081-A1 Cosmetic use of DHEA-derivatives L'OREAL (FR) 2003-05-02 EP disclosed