SCHEMBL6813747

SCHEMBL6813747

CCN(c1ccc(OCc2ccc(C(=O)OC)o2)cc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.61
NPC1 O15118 7/20 0.61
RAB9A P51151 7/20 0.61
HSP90AA1 P07900 2/20 0.61
L3MBTL1 Q9Y468 3/20 0.53
POLB P06746 3/20 0.50
TSHR P16473 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NR1I2 O75469 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL6819151 0.91 NPC1 (0.59) KMT2ANPC1RAB9AHSP90AA1L3MBTL1
SCHEMBL6814464 0.86 KMT2A (0.61) KMT2ANPC1RAB9AHSP90AA1L3MBTL1
SCHEMBL6815031 0.79 KMT2A (0.66) KMT2ANPC1RAB9AHSP90AA1L3MBTL1
SCHEMBL3563799 0.78 KMT2A (0.79) KMT2ANPC1RAB9AHSP90AA1L3MBTL1
SCHEMBL16763420 0.77 KMT2A (1.00) KMT2ANPC1RAB9AHSP90AA1L3MBTL1
SCHEMBL6814232 0.76 NPC1 (0.59) KMT2ANPC1RAB9AHSP90AA1L3MBTL1
SCHEMBL4905129 0.74 MMP13 (0.52) TSHRLMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL16763369 0.74 KMT2A (0.72) KMT2ANPC1RAB9AHSP90AA1L3MBTL1
SCHEMBL16763229 0.73 KMT2A (0.70) KMT2ANPC1RAB9AHSP90AA1L3MBTL1
SCHEMBL3561578 0.72 RAB9A (0.79) KMT2ANPC1RAB9AHSP90AA1L3MBTL1

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
WO-2004012656-A2 THIOPHENE AND FURAN DERIVATIVES AS PROSTAGLANDIN AGONISTS AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-02-12 WO claimed
WO-2004012656-A2 THIOPHENE AND FURAN DERIVATIVES AS PROSTAGLANDIN AGONISTS AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-02-12 WO disclosed