SCHEMBL6971232

SCHEMBL6971232

c1ccc(-c2c[nH]nc2Oc2n[nH]cc2-c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 2/20 0.39
▸ AKT2 P31751 2/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ SQOR Q9Y6N5 1/20 0.38
▸ MAP4K4 O95819 2/20 0.36
▸ CSF1R P07333 2/20 0.36
▸ FGFR1 P11362 2/20 0.36
▸ KDR P35968 2/20 0.36
▸ LIMK1 P53667 2/20 0.36
▸ CDK5 Q00535 2/20 0.36
▸ AURKB Q96GD4 2/20 0.36
▸ AXL P30530 2/20 0.36
▸ CDC7 O00311 1/20 0.36
▸ PLK4 O00444 1/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ CHUK O15111 1/20 0.36
▸ PDPK1 O15530 1/20 0.36
▸ DYRK3 O43781 1/20 0.36
▸ ROCK2 O75116 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
SCHEMBL29882339 0.84 SQOR (0.32) AKT1AKT2ALDH1A1ALOX15SQOR
SCHEMBL1384959 0.83 SQOR (0.51) AKT1AKT2ALDH1A1SQORMAP4K4
SCHEMBL25274257 0.80 METAP2 (0.43) AKT1AKT2ALDH1A1ALOX15SQOR
SCHEMBL3263121 0.79 MAPK1 (0.43) ALDH1A1SQORMAP4K4CSF1RFGFR1
SCHEMBL10432295 0.79 ALDH1A1 (0.39) ALDH1A1PARP1LMNAL3MBTL1BACE1
SCHEMBL1386288 0.79 NPC1 (0.35) AKT1AKT2ALDH1A1ALOX15SQOR
SCHEMBL1386673 0.77 SQOR (0.49) ALDH1A1SQORCDC7CDK1CDK2
SCHEMBL218119 0.77 ALOX15 (0.52) AKT1AKT2ALDH1A1ALOX15KDR
SCHEMBL28911214 0.76 BCAT2 (0.41) ALDH1A1MAP4K4CSF1RFGFR1KDR
SCHEMBL544598 0.76 MAP4K4 (0.48) AKT1AKT2ALDH1A1ALOX15MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1074551-B1 Phenylpyrazoles with a herbicidal activity ISAGRO RICERCA SRL (IT) 2003-03-26 — — EP claimed
US-6265351-B1 CONTROLLING WEEDS IN THE AGRONOMIC FIELD. ISAGRO RICERCA S.R.L. (IT) 2001-07-24 — — US claimed
EP-1074551-A2 Phenylpyrazoles with a herbicidal activity Isagro Ricerca S.r.l. (IT) 2001-02-07 — — EP claimed
EP-1074551-B1 Phenylpyrazoles with a herbicidal activity ISAGRO RICERCA SRL (IT) 2003-03-26 — — EP disclosed
US-6265351-B1 CONTROLLING WEEDS IN THE AGRONOMIC FIELD. ISAGRO RICERCA S.R.L. (IT) 2001-07-24 — — US disclosed
EP-1074551-A2 Phenylpyrazoles with a herbicidal activity Isagro Ricerca S.r.l. (IT) 2001-02-07 — — EP disclosed
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