SCHEMBL8802200

SCHEMBL8802200

COC(=O)c1ccccc1NC(=O)c1ccc(Br)o1

nearest known ligand 0.84

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.84
▸ MAPT P10636 4/20 0.84
▸ USP2 O75604 1/20 0.84
▸ RAB9A P51151 6/20 0.72
▸ HPGD P15428 6/20 0.72
▸ ALDH1A1 P00352 6/20 0.72
▸ NPC1 O15118 6/20 0.72
▸ KDM4E B2RXH2 4/20 0.71
▸ GAA P10253 1/20 0.69
▸ HSD17B10 Q99714 4/20 0.67
▸ KMT2A Q03164 3/20 0.64
▸ HTT P42858 2/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ LMNA P02545 1/20 0.64
▸ NPSR1 Q6W5P4 1/20 0.64
▸ MAPK1 P28482 2/20 0.63
▸ MAPK10 P53779 1/20 0.61
▸ POLB P06746 2/20 0.60
▸ MEN1 O00255 1/20 0.59

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
SCHEMBL11888590 0.84 ALDH1A1 (1.00) TSHRMAPTUSP2RAB9AHPGD
SCHEMBL15528700 0.77 MAPK1 (1.00) TSHRMAPTUSP2RAB9AHPGD
SCHEMBL22445033 0.75 TSHR (0.74) TSHRMAPTRAB9AHPGDALDH1A1
SCHEMBL10165944 0.75 KMT2A (0.71) TSHRMAPTHPGDALDH1A1KDM4E
SCHEMBL9337435 0.75 TSHR (0.68) TSHRMAPTRAB9AHPGDALDH1A1
SCHEMBL244236 0.75 KMT2A (0.68) TSHRMAPTRAB9AHPGDALDH1A1
SCHEMBL13719210 0.74 TSHR (0.72) TSHRMAPTHPGDALDH1A1KDM4E
SCHEMBL11665959 0.74 TSHR (0.77) TSHRMAPTHPGDALDH1A1KDM4E
SCHEMBL6242064 0.74 TSHR (0.80) TSHRMAPTRAB9AHPGDALDH1A1
SCHEMBL7401969 0.74 KMT2A (0.69) TSHRMAPTHPGDALDH1A1KDM4E

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
EP-0794950-A1 DERIVATIVES OF ANTHRANILIC ACID USEFUL AS FUNGICIDES AgrEvo UK Limited (GB) 1997-09-17 — — EP disclosed
WO-1996016954-A1 DERIVATIVES OF ANTHRANILIC ACID USEFUL AS FUNGICIDES AGREVO UK LIMITED (GB) 1996-06-06 — — WO disclosed
Send feedback