SCHEMBL7080293

SCHEMBL7080293

COc1cccc2c(C(F)(F)F)cc(C)nc12

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HSD17B10 Q99714 2/20 0.49
GFER P55789 1/20 0.47
RORC P51449 4/20 0.47
TNKS O95271 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
MAPT P10636 1/20 0.44
GAA P10253 3/20 0.44
HTT P42858 2/20 0.44
SLC2A1 P11166 1/20 0.44
GLA P06280 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 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
SCHEMBL7761751 0.86 GFER (0.48) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL2860108 0.85 KDM4E (0.49) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL30122456 0.85 KDM4E (0.49) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL2857515 0.84 KDM4E (0.45) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL24715737 0.81 KDM4E (0.49) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL26766431 0.80 CRHR1 (0.58) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL18535287 0.79 KDM4E (0.59) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL2786977 0.78 METAP2 (0.46) KDM4EALDH1A1RORCTNKSTNKS2
SCHEMBL3052093 0.77 CD38 (0.68) HSD17B10GFERSLC2A1
SCHEMBL1564292 0.76 GAA (0.54) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944618-B1 NOVEL N-BENZENESULPHONYL-L-PROLINE DERIVATIVES, METHOD FOR PREPARING AND THERAPEUTIC USE FOURNIER IND & SANTE (FR) 2003-09-24 EP disclosed
US-6071917-A ANALGESICS; ANTIINFLAMMATORY AGENTS; ESPECIALLY FOR THE TREATMENT OF ASTHMA, CEREBRAL TRAUMATIC SHOCK AND ALLERGIC RHINITIS; COMPETITIVE BINDING AT RECEPTORS FOURNIER INDUSTRIE ET SANTE (FR) 2000-06-06 US disclosed
US-6063791-A N-benzenesulfonyl-L-proline derivatives, method for preparing and therapeutic use FOURNIER INDUSTRIE ET SANTE (FR) 2000-05-16 US disclosed
EP-0944618-A1 NOVEL N-BENZENESULPHONYL-L-PROLINE DERIVATIVES, METHOD FOR PREPARING AND THERAPEUTIC USE FOURNIER INDUSTRIE ET SANTE (FR) 1999-09-29 EP disclosed
EP-0925295-A1 N-BENZENESULPHONYL-L-PROLINE DERIVATIVES AS BRADYKININ B2 AGONISTS FOURNIER INDUSTRIE ET SANTE (FR) 1999-06-30 EP disclosed
WO-1998024783-A1 NOVEL N-BENZENESULPHONYL-L-PROLINE DERIVATIVES, METHOD FOR PREPARING AND THERAPEUTIC USE FOURNIER INDUSTRIE ET SANTE (FR) 1998-06-11 WO disclosed
WO-1998003503-A1 N-BENZENESULPHONYL-L-PROLINE DERIVATIVES AS BRADYKININ B2 AGONISTS FOURNIER INDUSTRIE ET SANTE (FR) 1998-01-29 WO disclosed