SCHEMBL11375864

SCHEMBL11375864

Brc1ccc(-c2coc3c2ccc2ccccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ CYP1A1 P04798 5/20 0.41
▸ CYP1B1 Q16678 5/20 0.41
▸ CYP1A2 P05177 4/20 0.41
▸ ENPP3 O14638 1/20 0.37
▸ ENPP1 P22413 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ KLK7 P49862 1/20 0.37
▸ ERCC5 P28715 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ HPRT1 P00492 1/20 0.36
▸ ADORA1 P30542 2/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL11404213 0.86 KMT2A (0.49) MEN1POLBKMT2APTPN1CYP1A1
SCHEMBL11366270 0.79 HPGD (0.43) MEN1POLBKMT2APTPN1CYP1A2
SCHEMBL18271539 0.76 CYP1A1 (0.44) KMT2ACYP1A1CYP1B1CYP1A2ALDH1A1
SCHEMBL17382979 0.76 ARSA (0.42) CYP1A1CYP1B1CYP1A2ALDH1A1KDM4E
SCHEMBL31534638 0.76 ARSA (0.42) CYP1A1CYP1B1CYP1A2ALDH1A1KDM4E
SCHEMBL31591223 0.75 POLB (0.51) MEN1POLBKMT2APTPN1CYP1A1
SCHEMBL27356744 0.75 MEN1 (0.42) MEN1POLBKMT2APTPN1CYP1A1
SCHEMBL17382982 0.75 ARSA (0.41) CYP1A1CYP1B1CYP1A2ALDH1A1KDM4E
SCHEMBL27355754 0.74 KMT2A (0.44) MEN1POLBKMT2APTPN1CYP1A1
SCHEMBL2247403 0.74 MIF (0.44) MEN1POLBKMT2APTPN1ALDH1A1

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-4298532-A INTERMEDIATES FOR MICROBIOCIDES RIKER LABORATORIES, INC. (US) 1981-11-03 — — US disclosed
US-4260547-A MICROBIOCIDES RIKER LABORATORIES, INC. (US) 1981-04-07 — — US disclosed
US-4231965-A CHEMICAL INTERMEDIATES FOR MICROBIOCIDES RIKER LABORATORIES, INC. (US) 1980-11-04 — — US disclosed
US-4154848-A MICROBIOCIDES, BACTERICIDES RIKER LABORATORIES, INC. (US) 1979-05-15 — — US disclosed
US-4128659-A 2-NITRO-3-PHENYL-BENZOFURANS RIKER LABORATORIES, INC. (US) 1978-12-05 — — US disclosed
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