SCHEMBL8993427

SCHEMBL8993427

O=C(CCC1c2ccccc2-c2ccccc21)Nc1ccccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.52
KMT2A Q03164 5/20 0.51
MEN1 O00255 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.49
ALDH1A1 P00352 3/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
CTSK P43235 1/20 0.48
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL16404495 0.80 KMT2A (0.69) HCAR2KMT2AMEN1NPC1RAB9A
SCHEMBL8993362 0.78 KMT2A (0.51) KMT2AMEN1NPC1RAB9ASMN1; SMN2
Water SCHEMBL8993280 0.77 KMT2A (0.50) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL119223 0.77 EPHX2 (0.60) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL29401765 0.77 EPHX2 (0.60) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL29913938 0.77 EPHX2 (0.60) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL7824993 0.76 KMT2A (0.63) HCAR2KMT2AMEN1NPC1RAB9A
SCHEMBL10501327 0.75 KMT2A (0.83) HCAR2KMT2AMEN1NPC1RAB9A
SCHEMBL2968441 0.74 KMT2A (0.66) HCAR2KMT2AMEN1NPC1RAB9A
SCHEMBL5622296 0.74 KDM4C (0.54) HCAR2KMT2AMEN1NPC1RAB9A

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-5472973-A Non-steroidal antiinflammatory agents SCIOS NOVA INC. (US) 1995-12-05 US claimed
WO-1993011764-A1 FLUORENYL DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCIOS NOVA INC. (US) 1993-06-24 WO claimed
US-5519043-A ANTIINFLAMMATORY AGENTS WITH AMIDE, CARBAMATE OR THIOCARBAMATE GROUPS ON FLUORENE AND BENZENE SCIOS NOVA INC. (US) 1996-05-21 US disclosed
US-5472973-A Non-steroidal antiinflammatory agents SCIOS NOVA INC. (US) 1995-12-05 US disclosed
WO-1993011764-A1 FLUORENYL DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCIOS NOVA INC. (US) 1993-06-24 WO disclosed