SCHEMBL9508062

SCHEMBL9508062

COc1c(CC(N)=O)ccc2ccccc12.[Na]

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
HPGD P15428 2/20 0.45
PLA2G10 O15496 1/20 0.44
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.40

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
SCHEMBL9504003 0.98 MTNR1A (0.47) MTNR1AL3MBTL1HPGDPLA2G10CYP1A1
SCHEMBL9508056 0.97 MTNR1A (0.46) MTNR1AL3MBTL1HPGDPLA2G10CYP1A1
SCHEMBL11739000 0.84 TDP1 (0.57) L3MBTL1HPGDCYP1A1CYP1B1TDP1
SCHEMBL11461555 0.83 L3MBTL1 (0.50) L3MBTL1HPGDCYP1A1CYP1B1TDP1
Methane SCHEMBL6568809 0.83 TDP1 (0.56) L3MBTL1HPGDCYP1A1CYP1B1TDP1
SCHEMBL14064624 0.79 KDM4E (0.46) HPGDCYP1A1CYP1B1KDM4ELMNA
SCHEMBL5963023 0.79 ALDH1A1 (0.46) HPGDCYP1A1CYP1B1TDP1KDM4E
SCHEMBL30490817 0.79 KDM4E (0.46) HPGDCYP1A1CYP1B1KDM4ELMNA
SCHEMBL27480626 0.78 TSHR (0.46) MTNR1AL3MBTL1HPGDTDP1KDM4E
Ammonia Solution, Strong SCHEMBL28190293 0.77 KDM4E (0.45) HPGDCYP1A1CYP1B1KDM4ELMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0547148-A1 NAPHTHALENEPROPIONIC ACID DERIVATIVES AS ANTI-INFLAMMATORY/ANTIALLERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-06-23 EP disclosed
WO-1992004325-A1 NAPHTHALENEPROPIONIC ACID DERIVATIVES AS ANTI-INFLAMMATORY/ANTIALLERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1992-03-19 WO disclosed