SCHEMBL7470095

SCHEMBL7470095

C=CC(=O)OS(=O)(=O)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
THRB P10828 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
PRSS1 P07477 3/20 0.41
PRSS2 P07478 3/20 0.41
PRSS3 P35030 3/20 0.41
FAAH O00519 1/20 0.41
ELANE P08246 1/20 0.41
PRTN3 P24158 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
TSHR P16473 2/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9776664 0.80 KMT2A (0.57) KMT2ACA1CA2MMP1MMP2
SCHEMBL2721428 0.80 KMT2A (0.57) KMT2ACA1CA2MMP1MMP2
SCHEMBL7477936 0.77 KMT2A (0.53) KMT2ACA1CA2MMP1MMP2
SCHEMBL498618 0.77 KMT2A (0.53) KMT2ACA1CA2MMP1MMP2
SCHEMBL17417729 0.75 KMT2A (0.52) KMT2ACA1CA2MMP1MMP2
SCHEMBL11833010 0.75 KMT2A (0.52) KMT2ACA1CA2MMP1MMP2
SCHEMBL88529 0.74 KMT2A (0.55) KMT2ACA1CA2MMP1MMP2
SCHEMBL27519584 0.74 KMT2A (0.50) KMT2ACA1CA2MMP1MMP2
SCHEMBL28184923 0.74 KMT2A (0.50) KMT2ACA1CA2MMP1MMP2
SCHEMBL830996 0.74 KMT2A (0.50) KMT2ACA1CA2MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0703221-B1 5 alpha-reductase Inhibitors LILLY CO ELI (US) 2002-03-27 EP disclosed
US-5670514-A BENZOQUINOLIN-3-ONE ELI LILLY AND COMPANY (US) 1997-09-23 US disclosed
US-5635197-A BENZO(F)QUINOLIN-3-ONES; ANTICARCINOGENIC AGENTS; BONE DISORDERS ELI LILLY AND COMPANY (US) 1997-06-03 US disclosed
US-5629007-A USING BENZOQUINOLIN-3-ONE DERIVATIVES ELI LILLY AND COMPANY (US) 1997-05-13 US disclosed
US-5622961-A PROSTATE CANCER, SKIN DISORDERS, BALDNESS ELI LILLY AND COMPANY (US) 1997-04-22 US disclosed
US-5622962-A PROSTATE CANCER, SKIN DISORDERS, BALDNESS ELI LILLY AND COMPANY (US) 1997-04-22 US disclosed
US-5578724-A INHIBITORS OF 5-ALPHA-REDUCTASE ELI LILLY AND COMPANY (US) 1996-11-26 US disclosed
WO-1996035422-A1 METHODS FOR INHIBITING BONE LOSS ELI LILLY AND COMPANY (US) 1996-11-14 WO disclosed
EP-0742010-A2 Benzoquinolin-3-ones to inhibit bone loss ELI LILLY AND COMPANY (US) 1996-11-13 EP disclosed
EP-0733365-A2 Use of benzoquinolin-3-ones for the treatment and prevention of prostatic cancer ELI LILLY AND COMPANY (US) 1996-09-25 EP disclosed
US-5550134-A ADMINISTERING TO A MAMMAL FROM A SERIES OF BENZOQUINOLIN-3-ONE COMPOUNDS ELI LILLY AND COMPANY (US) 1996-08-27 US disclosed
WO-1996009046-A1 5α-REDUCTASE INHIBITORS ELI LILLY AND COMPANY (US) 1996-03-28 WO disclosed
EP-0703221-A1 5 alpha-reductase Inhibitors ELI LILLY AND COMPANY (US) 1996-03-27 EP disclosed