SCHEMBL8886472

SCHEMBL8886472

ON=C1CC(c2ccccc2)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
CYP19A1 P11511 1/20 0.41
CYP11B2 P19099 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 4/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL8886471 1.00 FGFR1 (0.42) FGFR1FGFR2CYP19A1CYP11B2KDM4E
SCHEMBL11013839 1.00 FGFR1 (0.42) FGFR1FGFR2CYP19A1CYP11B2KDM4E
SCHEMBL2795793 0.83 HTT (0.35) FGFR1FGFR2HPGDALDH1A1MEN1
SCHEMBL2795794 0.83 HTT (0.35) FGFR1FGFR2HPGDALDH1A1MEN1
SCHEMBL12609484 0.76 KDM4E (0.42) FGFR1FGFR2CYP19A1CYP11B2KDM4E
SCHEMBL25248267 0.74 NOTUM (0.40) CYP19A1CYP11B2HPGDALDH1A1MEN1
SCHEMBL782667 0.74 NOTUM (0.40) CYP19A1CYP11B2HPGDALDH1A1MEN1
SCHEMBL782668 0.74 NOTUM (0.40) CYP19A1CYP11B2HPGDALDH1A1MEN1
SCHEMBL7480796 0.74 ALDH1A1 (0.45) HPGDALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL7480793 0.74 ALDH1A1 (0.45) HPGDALDH1A1MEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639766-A TREATING CENTRAL NERVOUS SYSTEM AILMENTS RELATED TO GAMMA-AMINOBUTYRIC ACID UPTAKE NOVO NORDISK A/S (DK) 1997-06-17 US disclosed
EP-0707568-A1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS THEREOF NOVO NORDISK A/S (DK) 1996-04-24 EP disclosed
WO-1995000484-A1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS THEREOF NOVO NORDISK A/S (DK) 1995-01-05 WO disclosed
US-4548946-A Antiinflammatory and/or analgesic 1,8-Dihydro-(or 3,8-dihydro)-8-aryl-2-[(substituted)thio]-indeno[1,2-d]imidazoles and their corresponding sulfoxides and sulfones E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-10-22 US disclosed
EP-0061712-A1 Antiinflammatory and/or analgesic 1,8-dihydro (or 3,8-dihydro)-8-aryl-2-((substituted)thio)-indeno(1,2-)imidazoles and their corresponding sulfoxides and sulfones E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-10-06 EP disclosed