SCHEMBL5693189

SCHEMBL5693189

O=C1c2ccccc2C(=O)N1Cc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.54
▸ KDM4E B2RXH2 8/20 0.52
▸ GAA P10253 2/20 0.52
▸ RECQL P46063 1/20 0.52
▸ ALDH1A1 P00352 5/20 0.49
▸ CYP1B1 Q16678 2/20 0.46
▸ MAPT P10636 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ FAAH O00519 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ HEXA P06865 3/20 0.44
▸ HEXB P07686 3/20 0.44
▸ UBE2N P61088 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ HPGD P15428 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43

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
SCHEMBL1337353 0.80 CA12 (0.57) NPSR1KDM4EGAARECQLALDH1A1
SCHEMBL4234077 0.76 GBA1 (0.53) KDM4ERECQLALDH1A1MAPTSMN1; SMN2
SCHEMBL4390948 0.76 GBA1 (0.53) KDM4ERECQLALDH1A1MAPTSMN1; SMN2
SCHEMBL14303171 0.74 RECQL (0.51) NPSR1KDM4EGAARECQLALDH1A1
SCHEMBL22400684 0.72 CASP3 (0.45) NPSR1GAARECQLALDH1A1CYP1B1
SCHEMBL28737150 0.72 KDM4E (0.63) NPSR1KDM4EGAARECQLALDH1A1
SCHEMBL25955055 0.71 CYP1B1 (0.56) ALDH1A1CYP1B1POLB
SCHEMBL30676750 0.71 CYP1B1 (0.56) ALDH1A1CYP1B1POLB
SCHEMBL5594225 0.70 NPSR1 (1.00) NPSR1KDM4EGAARECQLALDH1A1
SCHEMBL2928914 0.70 KMT2A (0.56) KDM4EALDH1A1CYP1B1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0805188-B1 Incorporation of aromatic polycyclic compounds during quinacridone preparation processes SUN CHEMICAL CORP (US) 2006-05-31 — — EP claimed
EP-0805188-A2 Incorporation of aromatic polycyclic compounds during quinacridone preparation processes Bayer Corporation (US) 1997-11-05 — — EP claimed
US-5683502-A REACTION OF 2,5-DIANILINOTEREPHTHALIC ACID AND 3,6-DIHYDRO DERIVATIVE OF ESTER WITH DEHYDRATING AGENT AND NONPIGMENTARY AROMATIC POLYCYCLIC COMPOUND AND OXIDATION BAYER CORPORATION (US) 1997-11-04 — — US claimed
EP-0805188-B1 Incorporation of aromatic polycyclic compounds during quinacridone preparation processes SUN CHEMICAL CORP (US) 2006-05-31 — — EP disclosed
EP-0805188-A2 Incorporation of aromatic polycyclic compounds during quinacridone preparation processes Bayer Corporation (US) 1997-11-05 — — EP disclosed
US-5683502-A REACTION OF 2,5-DIANILINOTEREPHTHALIC ACID AND 3,6-DIHYDRO DERIVATIVE OF ESTER WITH DEHYDRATING AGENT AND NONPIGMENTARY AROMATIC POLYCYCLIC COMPOUND AND OXIDATION BAYER CORPORATION (US) 1997-11-04 — — US disclosed
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